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CHEBI:225698 - Ogipeptin D

ChEBI IDCHEBI:225698
ChEBI NameOgipeptin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H84N14O11
Net Charge0
Average Mass1009.265
Monoisotopic Mass1008.64440
SMILESCC=C1NC(=O)[C@@H](NC(=O)CCCCC/C=C\CCCCCC)[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/C46H84N14O11/c1-5-7-8-9-10-11-12-13-14-15-16-19-35(64)58-38-34(63)26-53-43(69)36(32(61)24-48)60-45(71)37(33(62)25-49)59-41(67)29(18-17-22-52-46(50)51)55-42(68)31(23-27(3)4)57-40(66)30(20-21-47)56-39(65)28(6-2)54-44(38)70/h6,11-12,27,29-34,36-38,61-63H,5,7-10,13-26,47-49H2,1-4H3,(H,53,69)(H,54,70)(H,55,68)(H,56,65)(H,57,66)(H,58,64)(H,59,67)(H,60,71)(H4,50,51,52)/b12-11-,28-6?/t29-,30-,31-,32-,33+,34+,36-,37-,38-/m0/s1
InChIKeyQYCXAYVXFCTOCG-LHFACJKSSA-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 D (CHEBI:225698) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(Z)-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]tetradec-7-enamide
Manual XrefsDatabases
78438780ChemSpider