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CHEBI:221215 - Microcin C7

ChEBI IDCHEBI:221215
ChEBI NameMicrocin C7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70N18O18PS
Net Charge+1
Average Mass1178.171
Monoisotopic Mass1177.45683
SMILESCSCC[C@H](NC=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[P+](O)(OCCCN)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](C)O
InChIInChI=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/h16-25,29,31-32,41,62,67-68,75H,4-15,43H2,1-3H3,(H16-,44,45,46,47,48,49,50,51,53,54,55,56,57,58,59,61,63,64,65,66,69,70,71,72,73,74)/p+1/t19-,20+,21-,22-,23-,24-,25+,29-,31+,32+,41+,79?/m0/s1
InChIKeyHPVDPNOXNZKNAU-CRNXWWIHSA-O
Species of MetaboliteComponentSourceComments
Escherichia (ncbitaxon:561) - PubMed (7559516)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microcin C7 (CHEBI:221215) is a glycopeptide (CHEBI:24396)
IUPAC Name 
[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S,3R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-ormamido-4-methylsulanylbutanoyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-(3-aminopropoxy)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-hydroxyphosphanium