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Chemistry

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Also known as: 151186-19-5, Lactoferrin (bovine), J-008279
Molecular Formula
C141H226N46O29S3
Molecular Weight
3125.8  g/mol
InChI Key
CSSYQJWUGATIHM-IKGCZBKSSA-N

Lactoferrin
An iron-binding protein that was originally characterized as a milk protein. It is widely distributed in secretory fluids and is found in the neutrophilic granules of LEUKOCYTES. The N-terminal part of lactoferrin possesses a serine protease which functions to inactivate the type III secretion system used by bacteria to export virulence proteins for host cell invasion.
1 2D Structure

Lactoferrin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxyethylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxypropylidene]amino]-3-phenylpropanoic acid
2.1.2 InChI
InChI=1S/C141H226N46O29S3/c1-11-77(6)111(133(212)186-112(80(9)189)134(213)183-106(74-218)130(209)184-110(76(4)5)132(211)176-97(49-32-61-161-141(155)156)120(199)170-93(45-28-57-157-137(147)148)116(195)166-78(7)113(192)180-103(136(215)216)66-82-36-16-13-17-37-82)185-128(207)104(72-188)181-131(210)107-50-33-62-187(107)135(214)79(8)165-109(191)71-164-115(194)100(64-75(2)3)177-121(200)92(44-24-27-56-144)168-117(196)91(43-23-26-55-143)169-125(204)99(53-63-219-10)175-119(198)94(46-29-58-158-138(149)150)172-126(205)101(67-83-69-162-88-40-20-18-38-85(83)88)179-124(203)98(51-52-108(146)190)174-127(206)102(68-84-70-163-89-41-21-19-39-86(84)89)178-122(201)96(48-31-60-160-140(153)154)171-118(197)95(47-30-59-159-139(151)152)173-129(208)105(73-217)182-123(202)90(42-22-25-54-142)167-114(193)87(145)65-81-34-14-12-15-35-81/h12-21,34-41,69-70,75-80,87,90-107,110-112,162-163,188-189,217-218H,11,22-33,42-68,71-74,142-145H2,1-10H3,(H2,146,190)(H,164,194)(H,165,191)(H,166,195)(H,167,193)(H,168,196)(H,169,204)(H,170,199)(H,171,197)(H,172,205)(H,173,208)(H,174,206)(H,175,198)(H,176,211)(H,177,200)(H,178,201)(H,179,203)(H,180,192)(H,181,210)(H,182,202)(H,183,213)(H,184,209)(H,185,207)(H,186,212)(H,215,216)(H4,147,148,157)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t77-,78-,79-,80+,87-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,110-,111-,112-/m0/s1
2.1.3 InChI Key
CSSYQJWUGATIHM-IKGCZBKSSA-N
2.1.4 Canonical SMILES
CCC(C)C(C(=NC(C(C)O)C(=NC(CS)C(=NC(C(C)C)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(C)C(=NC(CC1=CC=CC=C1)C(=O)O)O)O)O)O)O)O)O)N=C(C(CO)N=C(C2CCCN2C(=O)C(C)N=C(CN=C(C(CC(C)C)N=C(C(CCCCN)N=C(C(CCCCN)N=C(C(CCSC)N=C(C(CCCNC(=N)N)N=C(C(CC3=CNC4=CC=CC=C43)N=C(C(CCC(=N)O)N=C(C(CC5=CNC6=CC=CC=C65)N=C(C(CCCNC(=N)N)N=C(C(CCCNC(=N)N)N=C(C(CS)N=C(C(CCCCN)N=C(C(CC7=CC=CC=C7)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
2.1.5 Isomeric SMILES
CC[C@H](C)[C@@H](C(=N[C@@H]([C@@H](C)O)C(=N[C@@H](CS)C(=N[C@@H](C(C)C)C(=N[C@@H](CCCNC(=N)N)C(=N[C@@H](CCCNC(=N)N)C(=N[C@@H](C)C(=N[C@@H](CC1=CC=CC=C1)C(=O)O)O)O)O)O)O)O)O)N=C([C@H](CO)N=C([C@@H]2CCCN2C(=O)[C@H](C)N=C(CN=C([C@H](CC(C)C)N=C([C@H](CCCCN)N=C([C@H](CCCCN)N=C([C@H](CCSC)N=C([C@H](CCCNC(=N)N)N=C([C@H](CC3=CNC4=CC=CC=C43)N=C([C@H](CCC(=N)O)N=C([C@H](CC5=CNC6=CC=CC=C65)N=C([C@H](CCCNC(=N)N)N=C([C@H](CCCNC(=N)N)N=C([C@H](CS)N=C([C@H](CCCCN)N=C([C@H](CC7=CC=CC=C7)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Lactotransferrin

2.2.2 Depositor-Supplied Synonyms

1. 151186-19-5

2. Lactoferrin (bovine)

3. J-008279

2.3 Create Date
2017-04-11
3 Chemical and Physical Properties
Molecular Weight 3125.8 g/mol
Molecular Formula C141H226N46O29S3
XLogP36.8
Hydrogen Bond Donor Count51
Hydrogen Bond Acceptor Count65
Rotatable Bond Count108
Exact Mass3124.6819537 g/mol
Monoisotopic Mass3123.6785989 g/mol
Topological Polar Surface Area1360 Ų
Heavy Atom Count219
Formal Charge0
Complexity7330
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Infective Agents

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)


API SUPPLIERS

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01

Venkatasai Life Sciences

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

American Pharma Summit
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Venkatasai Life Sciences

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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American Pharma Summit
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GenScript Biotech Corporation

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

American Pharma Summit
Not Confirmed
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GenScript Biotech Corporation

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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American Pharma Summit
Not Confirmed
USDMF CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
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03

PK Components

Poland

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

American Pharma Summit
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BioFlorida Conference
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BioFlorida Conference
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Lactoferrin

About the Company : GenScript Biotech Corporation (Stock Code: 1548.HK) is a global biotechnology group. GenScript’s businesses encompass four major categories based on its leading gene synthesis te...

GenScript Biotech Corporation (Stock Code: 1548.HK) is a global biotechnology group. GenScript’s businesses encompass four major categories based on its leading gene synthesis technology, including operation as a Life Science CRO, enzyme and synthetic biology products, biologics development and manufacturing, as well as cell therapy. Founded in 2002 and listed on the Hong Kong Stock Exchange in 2015, GenScript has an established global presence across Greater China, North America, the EU, and Asia Pacific.
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02

PK Components

Poland
BioFlorida Conference
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PK Components

Poland
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BioFlorida Conference
Not Confirmed

Lactoferrin

About the Company : PK Components is a Polish distributor of raw materials for the production of dietary supplements and for the food industry. Our hallmark is a stable market position, customer trust...

PK Components is a Polish distributor of raw materials for the production of dietary supplements and for the food industry. Our hallmark is a stable market position, customer trust, and a comprehensive offer combining consulting and sales into a reliable business partnership. We supply the highest quality raw materials for the production of dietary supplements and food.
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03

BioFlorida Conference
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BioFlorida Conference
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Lactoferrin

About the Company : Established in the year 2013 we help our clients to increase their R&D productivity in a cost-effective manner. We address a wide spectrum of client needs across the drug discovery...

Established in the year 2013 we help our clients to increase their R&D productivity in a cost-effective manner. We address a wide spectrum of client needs across the drug discovery and development value chain, which include: Medicinal Chemistry, Custom Synthesis, and Process R&D, Toxicology, Clinical Research, and Analytical Testing. Quality has been the major factor behind Venkatasai life sciences success in the wide competitive arena. We also ensure that all the products conform to strict quality standards. Owing to this, we are counted as one of the first and foremost choice of our clients that are spread across the world.
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API Reference Price

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[{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q1","strtotime":1645209000,"product":"LACTOFERRIN - NFQ (CHEMICALS)","address":"No 179 T H ROAD TONDIARPET Contact No: 919176154998","city":"CHENNAI","supplier":"TARADON LABORATORY","supplierCountry":"BELGIUM","foreign_port":"NA","customer":"TABLETS INDIA LTD","customerCountry":"INDIA","quantity":"10.00","actualQuantity":"10","unit":"KGS","unitRateFc":"750","totalValueFC":"9290.5","currency":"EUR","unitRateINR":"69638.6","date":"19-Feb-2022","totalValueINR":"696386","totalValueInUsd":"9290.5","indian_port":"MADRAS AIR","hs_no":"29420090","bill_no":"7574047","productDescription":"API","marketType":"REGULATED MARKET","country":"BELGIUM","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"No 179 T H ROAD TONDIARPET Contact No: 919176154998"},{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q1","strtotime":1647282600,"product":"LACTOFERRIN-AA- PUC57, PURIFIED PLASMID DNA SAMPLES, (FOR RESEARCH USE ONLY) (1 NOS)","address":"6-3-668\/10\/56, P NO.56, 1ST FLOOR, DURGA NAGAR COLONY, PUNJAGUTTA,","city":"HYDERABAD, AP.","supplier":"GENSCRIPT BIOTECH(SINGAPORE)PTE LTD","supplierCountry":"SINGAPORE","foreign_port":"NA","customer":"FERTIS INDIA PRIVATE LIMITED","customerCountry":"INDIA","quantity":"0.05","actualQuantity":"0.047","unit":"KGS","unitRateFc":"1042.6","totalValueFC":"54.5","currency":"USD","unitRateINR":"88333.2","date":"15-Mar-2022","totalValueINR":"4151.66","totalValueInUsd":"54.5","indian_port":"HYDERABAD AIR","hs_no":"29349990","bill_no":"7869482","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"SINGAPORE","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"6-3-668\/10\/56, P NO.56, 1ST FLOOR, DURGA NAGAR COLONY, PUNJAGUTTA,"},{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q3","strtotime":1696012200,"product":"LACTOFERRIN - NFQ ( CHEMICALS)","address":"NO.22 (OLD NO.12\/56)","city":"EGMORE, CHENNAI. TAMIL NADU.","supplier":"N\/A","supplierCountry":"BELGIUM","foreign_port":"BRUXELLES (BRUSSEL)","customer":"HEALKRAFT PHARMA INDIA ","customerCountry":"INDIA","quantity":"10.00","actualQuantity":"10","unit":"KGS","unitRateFc":"800","totalValueFC":"8678.7","currency":"EUR","unitRateINR":"72040","date":"30-Sep-2023","totalValueINR":"720400","totalValueInUsd":"8678.7","indian_port":"Madras Air","hs_no":"29420090","bill_no":"8084805","productDescription":"API","marketType":"REGULATED MARKET","country":"BELGIUM","selfForZScoreResived":"Pharma Grade","supplierPort":"BRUXELLES (BRUSSEL)","supplierAddress":"N\/A","customerAddress":"NO.22 (OLD NO.12\/56)"}]
19-Feb-2022
30-Sep-2023
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