glucosyl-(heptosyl)2-Kdo2-lipid A
기본 정보
- 표준 SMILES
CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[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]3O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]([C@H](O)CO)O2)[C@H]1OP(=O)([O-])[O-]- InChIKey
UMRPQNDYTAXFNB-AXIBLZMKSA-H- 분자식
- C130H230N2O56P2-6
- 평균 분자량
- 2,779.1 g/mol
- 단동위원소 질량
- 2,777.468648
개요
glucosyl-(heptosyl)2-Kdo2-lipid A is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
이름 및 식별자
- 우선 이름
- glucosyl-(heptosyl)2-Kdo2-lipid A
- IUPAC
- (2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4S,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,3S,4S,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-2-[[(2R,3S,4R,5R,6R)-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonatooxyoxan-2-yl]methoxy]-3-phosphonatooxy-4-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate
이름 및 동의어
glucosyl-(heptosyl)2-Kdo2-lipid ADTXSID601344441
데이터베이스 식별자
- PubChem CID
- 51351771
- DTXSID
DTXSID601344441
물성
구조 계산 물성
- XLogP
- 17.1
- 극성 표면적
- 933 Ų
- 수소 결합 공여자 수
- 23
- 수소 결합 수용자 수
- 56
- 회전 가능 결합 수
- 105
- 무거운 원자 수
- 190
- 형식 전하
- -6
- 복잡도
- 4,910
관련 반응
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