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CHEBI:199256 - Largamide A

ChEBI IDCHEBI:199256
ChEBI NameLargamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H59N7O12
Net Charge0
Average Mass841.960
Monoisotopic Mass841.42217
SMILESC/C=C1\NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)C=C(C)C)C(C)C)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC1=O
InChIInChI=1S/C41H59N7O12/c1-10-27-36(54)44-28(15-16-32(51)52)37(55)46-30(17-20(2)3)41(59)60-24(9)34(40(58)42-23(8)35(53)43-27)48-38(56)29(19-25-11-13-26(49)14-12-25)45-39(57)33(22(6)7)47-31(50)18-21(4)5/h10-14,18,20,22-24,28-30,33-34,49H,15-17,19H2,1-9H3,(H,42,58)(H,43,53)(H,44,54)(H,45,57)(H,46,55)(H,47,50)(H,48,56)(H,51,52)/b27-10-/t23-,24+,28+,29-,30-,33-,34-/m0/s1
InChIKeyHSCXMUJDRPVQBX-JCYRPJTLSA-N
Species of MetaboliteComponentSourceComments
Oscillatoriaspecies (ncbitaxon:1159) - PubMed (16930043)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Largamide A (CHEBI:199256) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(3S,6R,9Z,12S,15S,16R)-9-ethylidene-15-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(3-methylbut-2-enoylamino)butanoyl]amino]propanoyl]amino]-12,16-dimethyl-3-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-6-yl]propanoic acid
Manual XrefsDatabases
17242216ChemSpider