기본 정보
- 표준 SMILES
C/C1=C2N=C(/C=C3N=C(/C(C)=C4\[N-][C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)NCC(C)OP(=O)([O-])O[C@H]1[C@@H](O)[C@@H](n6cnc7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]\3CCC(N)=O)C(C)(C)[C@@H]/2CCC(N)=O.[CH3-].[Co+3]- InChIKey
ZFLASALABLFSNM-WYVZQNDMSA-L- 분자식
- C63H91CoN13O14P
- 평균 분자량
- 1,344.4 g/mol
개요
See also: Methylcobalamin (annotation moved to).
이름 및 식별자
- 우선 이름
- CID 10898559
- IUPAC
- carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl phosphate
이름 및 동의어
methylcobalaminMecobalamin13422-55-4Carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphatecarbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl phosphateHMS3886G09AKOS015840090AC-2035MSK1589CCG-270675Methylcobalamin, United States Pharmacopeia (USP) Reference Standard
데이터베이스 식별자
- PubChem CID
- 10898559
물성
구조 계산 물성
- 극성 표면적
- 452 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 92
- 형식 전하
- 0
- 복잡도
- 3,150
관련 반응
18건
화합물 노트
불러오는 중…