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CHEBI:208192 - Dihydrospumigin L

ChEBI IDCHEBI:208192
ChEBI NameDihydrospumigin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44N6O7
Net Charge0
Average Mass612.728
Monoisotopic Mass612.32715
SMILESCC1C[C@@H](C(=O)N[C@H](CO)CCCN=C(N)N)N(C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C(O)CCc2ccc(O)cc2)C1
InChIInChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
InChIKeyOYLLIRIQZZWJCJ-SNPABIAHSA-N
Species of MetaboliteComponentSourceComments
Sphaerospermopsis torques-reginae ITEP-024 (ncbitaxon:984208) - PubMed (28876933)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Dihydrospumigin L (CHEBI:208192) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
Manual XrefsDatabases
78439001ChemSpider