3-O-Sulfogalactosylceramide (d18:1/26:1(17Z))
기본 정보
- CAS
928346-40-1- 표준 SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(=O)O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC- InChIKey
PUKCSTQGOYUVRY-NJAKTLKSSA-N- 분자식
- C50H95NO11S
- 평균 분자량
- 918.4 g/mol
- 단동위원소 질량
- 917.66258402
개요
(17Z)-N-[(2S,3R,4E)-1-{[(2R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(sulfooxy)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacos-17-enimidic acid is a sulfoglycosphingolipid.
이름 및 식별자
- 우선 이름
- 3-O-Sulfogalactosylceramide (d18:1/26:1(17Z))
- IUPAC
- [(2R,5S,6R)-2-[(E,2S,3R)-2-[[(Z)-hexacos-17-enoyl]amino]-3-hydroxyoctadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
이름 및 동의어
3-O-Sulfogalactosylceramide (d18:1/26:1(17Z))CHEBI:184402Sulfatide (d18:1/26:1(17Z))(17Z)-N-[(2S,3R,4E)-1-{[(2R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(sulfooxy)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacos-17-enimidic acid[(2R,5S,6R)-2-[(E,2S,3R)-2-[[(Z)-hexacos-17-enoyl]amino]-3-hydroxyoctadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate[(2R,5S,6R)-2-{[(2S,3R,4E)-2-[(17Z)-hexacos-17-enamido]-3-hydroxyoctadec-4-en-1-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid[R-[R*,S*-(E)]]-N-[2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-17-Hexcacosenamide[R-[R*,S*-(E)]]-N-[2-hydroxy-1-[[(3-O-sulfo-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-17-HexcacosenamideN-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-17-HexacosenamideN-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-17-Hexacosenamide
데이터베이스 식별자
- CAS
928346-40-1- PubChem CID
- 53481404
- ChEBI
CHEBI:184402
물성
구조 계산 물성
- XLogP
- 15.4
- 극성 표면적
- 200 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 44
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,210
실험 및 물리화학적 성질
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsExtracellular
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