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CHEBI:219896 - Spumigin G

ChEBI IDCHEBI:219896
ChEBI NameSpumigin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42N6O6
Net Charge0
Average Mass594.713
Monoisotopic Mass594.31658
SMILESC[C@H]1C[C@@H](C(=O)NC(C=O)CCCN=C(N)N)N(C(=O)[C@@H](CCc2ccccc2)NC(=O)[C@H](O)Cc2ccc(O)cc2)C1
InChIInChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
InChIKeyYGAGCUYKOBGAQX-SYCDWYGJSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena (ncbitaxon:70799) - PubMed (19691450)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Spumigin G (CHEBI:219896) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-phenylbutanoyl]-4-methylpyrrolidine-2-carboxamide
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