지질IVA

Lipid A 406

HCID 10329124CAS 91841-27-9
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기본 정보

표준 SMILES
CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
InChIKey
KVJWZTLXIROHIL-QDORLFPLSA-N
분자식
C68H130N2O23P2
평균 분자량
1,405.7 g/mol
단동위원소 질량
1,404.85396168

개요

Lipid IVA is a tetra-acylated lipid A produced by E. coli as an intermediate in the lipid A biosynthetic pathway. It is a conjugate acid of a lipid IVA(4-).

이름 및 식별자

우선 이름
Lipid A 406
IUPAC
[(2R,3S,4R,5R,6R)-3-hydroxy-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-5-phosphonooxyoxan-2-yl]oxymethyl]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxytetradecanoate
현지명
지질IVA
영어명
LIPID IVA
분자식
C68H130N2O23P2
분자량
1405.71

이름 및 동의어

Lipid IVA91841-27-9lipid IV(A)Lipid A 406Lipid A disaccharide bisphosphate4P9U7Y4A4JCHEBI:29056DTXSID3013444662-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose2-deoxy-6-O-(2-deoxy-3-O-((3R)-3-hydroxytetradecanoyl)-2-((3R)-3-hydroxytetradecanamido)-4-O-phosphono-beta-D-glucopyranosyl)-3-O-((3R)-3-hydroxytetradecanoyl)-2-((3R)-3-hydroxytetradecanamido)-1-O-phosphono-alpha-D-glucopyranoseRefChem:153593DTXCID001773082
이름 더 보기
지질IVALA-14-PPPRECURSOR LACOMPOUND 406, LA-14-PP, PRECURSOR LA2-DEOXY-6-O-[2-DEOXY-3-O-[(R)-3-HYDROXYTETRADECANOYL]-2-[(R)-3-HYDROXYTETRADECANOYLAMINO]-BETA-D-GLUCOPYRANOSYL]-3-O-[(R)-3-HYDROXYTETRADECANOYL]-2-[(R)-3-HYDROXYTETRADECANOYL-AMINO]-ALPHA-D-GLUCOPYRANOSE 1,4'-DIPHOSPHATEα-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-4-O-phosphono-β-D-glucopyranosyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate) 3-[(3R)-3-hydroxytetradecanoate]2-Deoxy-6-O-[2-deoxy-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-4-O-phosphono-beta-D-glucopyranosyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-alpha-D-glucopyranose 1-(dihydrogen phosphate) 3-[(3R)-3-hydroxytetradecanoate]
[(2R,3S,4R,5R,6R)-3-hydroxy-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-5-phosphonooxyoxan-2-yl]oxymethyl]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxytetradecanoate2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphatecompound 406Glycophospholipids, lipid IV ASCHEMBL9625140CLP-24006-SC68H130N2O23P2

데이터베이스 식별자

CAS
91841-27-9
PubChem CID
10329124
DTXSID
DTXSID301344466
ChEBI
CHEBI:29056
UNII
4P9U7Y4A4J
Nikkaji
J609.054K

물성

구조 계산 물성

XLogP
14.4
극성 표면적
393 Ų
수소 결합 공여자 수
12
수소 결합 수용자 수
23
회전 가능 결합 수
62
무거운 원자 수
95

실험 및 물리화학적 성질

LipidsLipids -> Saccharolipids [SL] -> Acylaminosugars [SL01] -> Tetraacylaminosugars [SL0104]

물리화학적 성질

밀도
1.21 · 1.21±0.1 g/cm3(Predicted)
산도 계수 (pKa)
1.73 · 1.73±0.10(Predicted)

화학 및 산업

공급사3 곳

BOC Sciences16314854226 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]

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