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CHEBI:220199 - Incarnatapeptin A

ChEBI IDCHEBI:220199
ChEBI NameIncarnatapeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58N8O12
Net Charge0
Average Mass782.893
Monoisotopic Mass782.41742
SMILESCC(C)[C@H](O)[C@H](NC(=O)[C@@](C)(O)C12CCC([C@@H](C)O1)[C@@H](C)O2)C(=O)N1NCCC[C@@H]1C(=O)N(O)[C@@H](C)C(=O)N1NCCC[C@@H]1C(=O)N1NCCC[C@H]1C(=O)O
InChIInChI=1S/C35H58N8O12/c1-18(2)27(44)26(39-33(51)34(6,52)35-14-13-22(20(4)54-35)21(5)55-35)31(48)41-24(11-8-16-37-41)30(47)43(53)19(3)28(45)40-23(10-7-15-36-40)29(46)42-25(32(49)50)12-9-17-38-42/h18-27,36-38,44,52-53H,7-17H2,1-6H3,(H,39,51)(H,49,50)/t19-,20+,21+,22?,23+,24+,25-,26-,27-,34+,35?/m0/s1
InChIKeyBRARBDOBDCKGGD-WOBSXSHDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (32283033)
ChEBI Ontology
Outgoing Relation(s)
Incarnatapeptin A (CHEBI:220199) is a leucine derivative (CHEBI:47003)
IUPAC Name 
(3S)-2-[(3R)-2-[(2S)-2-[[(3R)-2-[(2S,3S)-2-[[(2S)-2-[(3R,5R)-3,5-dimethyl-2,6-dioxabicyclo[2.2.2]octan-1-yl]-2-hydroxypropanoyl]amino]-3-hydroxy-4-methylpentanoyl]diazinane-3-carbonyl]-hydroxyamino]propanoyl]diazinane-3-carbonyl]diazinane-3-carboxylic acid