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CHEBI:235409 - microcin c(1+)

ChEBI IDCHEBI:235409
ChEBI Namemicrocin c(1+)
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC42H70N18O18PS
Net Charge+1
Average Mass1178.171
Monoisotopic Mass1177.45683
SMILES[H]C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=[NH2+])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)NP(=O)(OCCC[NH3+])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/h16-25,29,31-32,41,62,67-68H,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)/p+1/t19-,20+,21-,22-,23-,24-,25+,29-,31+,32+,41+,79?/m0/s1
InChIKeyPQZVLCSYKIYYRQ-CRNXWWIHSA-O
ChEBI Ontology
Outgoing Relation(s)
microcin c(1+) (CHEBI:235409) is a ammonium ion derivative (CHEBI:35274)
microcin c(1+) (CHEBI:235409) is a guanidinium ion (CHEBI:60251)
microcin c(1+) (CHEBI:235409) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
microcin cUniProt
Manual XrefsDatabases
CPD0-1129MetaCyc