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CHEBI:209902 - Largamide C

ChEBI IDCHEBI:209902
ChEBI NameLargamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC47H63N7O13
Net Charge0
Average Mass934.057
Monoisotopic Mass933.44839
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](CCCCc2ccc(O)cc2)NC(=O)[C@@H](CCC(=O)O)NC1=O
InChIInChI=1S/C47H63N7O13/c1-8-33-42(61)50-34(21-22-38(58)59)43(62)51-35(12-10-9-11-29-13-17-31(55)18-14-29)47(66)67-28(7)40(46(65)48-27(6)41(60)49-33)54-44(63)36(24-30-15-19-32(56)20-16-30)52-45(64)39(26(4)5)53-37(57)23-25(2)3/h8,13-20,23,26-28,34-36,39-40,55-56H,9-12,21-22,24H2,1-7H3,(H,48,65)(H,49,60)(H,50,61)(H,51,62)(H,52,64)(H,53,57)(H,54,63)(H,58,59)/b33-8-/t27-,28+,34+,35-,36-,39-,40-/m0/s1
InChIKeyROTNPXNPAMNTOL-VCEFGQNISA-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 C (CHEBI:209902) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(3S,6R,9Z,12S,15S,16R)-9-ethylidene-3-[4-(4-hydroxyphenyl)butyl]-15-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(3-methylbut-2-enoylamino)butanoyl]amino]propanoyl]amino]-12,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-6-yl]propanoic acid
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17242217ChemSpider