Chem
J-GLOBAL ID:200907000713970514
Nikkaji number:J677.783J
Microcin C7
ミクロシンC7
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C42 H69 N17 [N+]O17 [O-]PS
Molecular formula furigana:
C42-H69-N18-O18-P-S
Molecular weight:
1177.160
InChI:
InChI=1S/C42H69N18O18PS/c1-19(35(69)57-24(13-28(65)66)39(73)59-79(75,76-10-5-8-43)77-15-25-31(67)32(68)41(78-25)60-17-52-30-33(45)50-16-51-34(30)60)54-38(72)23(12-26(44)63)55-27(64)14-49-40(74)29(20(2)62)58-37(71)22(6-4-9-48-42(46)47)56-36(70)21(53-18-61)7-11-80-3/h16-25,29,31-32,41,62,67-68H,4-15,43H2,1-3H3,(H2,44,63)(H,49,74)(H,53,61)(H,54,72)(H,55,64)(H,56,70)(H,57,69)(H,58,71)(H,65,66)(H2,45,50,51)(H4,46,47,48)(H,59,73,75)/t19-,20+,21-,22-,23-,24-,25+,29-,31+,32+,41+,79?/m0/s1
InChI key:
PQZVLCSYKIYYRQ-CRNXWWIHSA-N
SMILES:
CSCC[C@H](NC=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)NP(=O)(OCCC[NH3+])OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Systematic name (3):
CHO-L-Met-L-Arg-L-Thr-Gly-L-Asn-L-Ala-3-(カルボキシラト)-L-Ala-[[[1-(6-アミノ-9H-プリン-9-イル)-1,5-ジデオキシ-β-D-リボフラノース-5-イル]オキシ](3-アンモニオプロポキシ)ホスフィニル]NH2
(3S)-3-[({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(3-アザニウミルプロポキシ)ホスホリル)カルバモイル]-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-5-カルバムイミドアミド-2-[(2S)-2-ホルムアミド-4-(メチルスルファニル)ブタンアミド]ペンタンアミド]-3-ヒドロキシブタンアミド]アセトアミド}-3-カルバモイルプロパンアミド]プロパンアミド]プロパノアート
(3S)-3-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(3-azaniumylpropoxy)phosphoryl)carbamoyl]-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-formamido-4-(methylsulfanyl)butanamido]pentanamido]-3-hydroxybutanamido]acetamido}-3-carbamoylpropanamido]propanamido]propanoate
Other name (3):
ミクロシンC7
Microcin C7
CHO-L-Met-L-Arg-L-Thr-Gly-L-Asn-L-Ala-3-(Carboxylato)-L-Ala-[[[1-(6-amino-9H-purin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl]oxy](3-ammoniopropoxy)phosphinyl]NH2 ester
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