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CHEBI:225683 - Ogipeptin A

ChEBI IDCHEBI:225683
ChEBI NameOgipeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H78N14O11
Net Charge0
Average Mass955.173
Monoisotopic Mass954.59745
SMILESCC=C1NC(=O)[C@@H](NC(=O)CCCCCCCCC)[C@H](O)CNC(=O)[C@H]([C@@H](O)CN)NC(=O)[C@H]([C@H](O)CN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O
InChIInChI=1S/C42H78N14O11/c1-5-7-8-9-10-11-12-15-31(60)54-34-30(59)22-49-39(65)32(28(57)20-44)56-41(67)33(29(58)21-45)55-37(63)25(14-13-18-48-42(46)47)51-38(64)27(19-23(3)4)53-36(62)26(16-17-43)52-35(61)24(6-2)50-40(34)66/h6,23,25-30,32-34,57-59H,5,7-22,43-45H2,1-4H3,(H,49,65)(H,50,66)(H,51,64)(H,52,61)(H,53,62)(H,54,60)(H,55,63)(H,56,67)(H4,46,47,48)/t25-,26-,27-,28-,29+,30+,32-,33-,34-/m0/s1
InChIKeyVMDXXLVULZDQNB-ZBQMFOSJSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonasspecies SANK 71903 (ncbitaxon:796574) - PubMed (27328866)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ogipeptin A (CHEBI:225683) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[(3S,6S,9S,12S,15S,21S,22R)-15-(2-aminoethyl)-6-[(1R)-2-amino-1-hydroxyethyl]-3-[(1S)-2-amino-1-hydroxyethyl]-9-[3-(diaminomethylideneamino)propyl]-18-ethylidene-22-hydroxy-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]decanamide
Manual XrefsDatabases
78438777ChemSpider