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CHEBI:225692 - Ogipeptin C

ChEBI IDCHEBI:225692
ChEBI NameOgipeptin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H82N14O11
Net Charge0
Average Mass983.227
Monoisotopic Mass982.62875
SMILESCC=C1NC(=O)[C@@H](NC(=O)CCCCCCCCCCC)[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/C44H82N14O11/c1-5-7-8-9-10-11-12-13-14-17-33(62)56-36-32(61)24-51-41(67)34(30(59)22-46)58-43(69)35(31(60)23-47)57-39(65)27(16-15-20-50-44(48)49)53-40(66)29(21-25(3)4)55-38(64)28(18-19-45)54-37(63)26(6-2)52-42(36)68/h6,25,27-32,34-36,59-61H,5,7-24,45-47H2,1-4H3,(H,51,67)(H,52,68)(H,53,66)(H,54,63)(H,55,64)(H,56,62)(H,57,65)(H,58,69)(H4,48,49,50)/t27-,28-,29-,30-,31+,32+,34-,35-,36-/m0/s1
InChIKeyABTLHXNLCGOXGT-JJWZXHLFSA-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 C (CHEBI:225692) 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]dodecanamide
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