기본 정보
- CAS
77108-50-0- 표준 SMILES
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCCN=C(N)N)cs2)cs1)[C@@H](C)O)C(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@H]1O)c1cnc[nH]1.Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)C(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@H]1O)c1cnc[nH]1- InChIKey
UUKJIOXOQZYIGO-WRCQAQCRSA-O- 분자식
- C110H168N37O42S5+
- 평균 분자량
- 2,841.1 g/mol
- 단동위원소 질량
- 2,839.0751134
개요
antitumor antibiotic complex consisting of more than 10 components; produced by Streptomyces pingyangensis;
이름 및 식별자
- 우선 이름
- Zhengguangmycin
- IUPAC
- 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3R,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-[4-(diaminomethylideneamino)butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
- 현지명
- 정광마이신
- 영어명
- zhengguangmycin
- 분자식
- C110H168N37O42S5+
- 분자량
- 2841.05862
이름 및 동의어
ZhengguangmycinZhangguangmycinZhengguangmycinsZhengguangmycin B277108-50-0DTXSID80227899RefChem:195950DTXCID80150390SCHEMBL29711217정광마이신Zhengguangmycin A5
데이터베이스 식별자
- CAS
77108-50-0- PubChem CID
- 56841895
- DTXSID
DTXSID80227899
물성
구조 계산 물성
- 극성 표면적
- 1,430 Ų
- 수소 결합 공여자 수
- 42
- 수소 결합 수용자 수
- 63
- 회전 가능 결합 수
- 73
- 무거운 원자 수
- 194
- 형식 전하
- 1
- 복잡도
- 5,260
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Agents and endogenous substances that antagonize or inhibit the development of new blood vessels.
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