기본 정보
- CAS
143600-83-3- 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@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC- InChIKey
XAOLJGCZESYRFT-VHSKNIDJSA-N- 분자식
- C84H154N2O37P2
- 평균 분자량
- 1,846.1 g/mol
- 단동위원소 질량
- 1,844.9705678
개요
(KDO)2-lipid IVA is lipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a (KDO)2-lipid IVA(6-).
이름 및 식별자
- 우선 이름
- 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)
- IUPAC
- (2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxyoxan-2-yl]methoxy]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-3-phosphonooxyoxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
- 영어명
- (2R,4R,5R,6R)-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4 ,5-dihydroxy-oxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-[[( 2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetra decanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxy-oxan -2-yl]methoxy]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydrox ytetradecanoyl]oxy-3-phosphonooxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid
- 분자식
- C84H154N2O37P2
- 분자량
- 1846.06
이름 및 동의어
143600-83-3Kdo(2)-lipid IV(A)3-Deoxy-2-octulosonic acid(2)-lipid IV(A)DTXSID201624773-Deoxy-D-manno-2-octulosonic acid(2)-lipid ivaRefChem:911268DTXCID7084968(2R,4R,5R,6R)-4-(((2R,4R,5R,6R)-2-carboxy-6-((1R)-1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl)oxy)-6-((1R)-1,2-dihydroxyethyl)-5-hydroxy-2-(((2R,3S,4R,5R,6R)-6-(((2R,3S,4R,5R,6R)-3-hydroxy-5-((3R)-3-hydroxytetradecanamido)-4-(((3R)-3-hydroxytetradecanoyl)oxy)-6-(phosphonooxy)oxan-2-yl)methoxy)-5-((3R)-3-hydroxytetradecanamido)-4-(((3R)-3-hydroxytetradecanoyl)oxy)-3-(phosphonooxy)oxan-2-yl)methoxy)oxane-2-carboxylic acid(KDO)2-lipid IVAKDO2-lipid IV(A)Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A)SCHEMBL29393843
이름 더 보기
α-D-Glucopyranose, O-3-deoxy-α-D-manno-2-octulopyranosonosyl-(2→4)-O-3-deoxy-α-D-manno-2-octulopyranosonosyl-(2→6)-O-2-deoxy-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-4-O-phosphono-β-D-glucopyranosyl-(1→6)-2-deoxy-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(di...
물성
구조 계산 물성
- XLogP
- 10.7
- 극성 표면적
- 626 Ų
- 수소 결합 공여자 수
- 20
- 수소 결합 수용자 수
- 37
- 회전 가능 결합 수
- 72
- 무거운 원자 수
- 125
- 형식 전하
- 0
- 복잡도
- 3,090
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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