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CHEBI:210337 - Colletopiperazine

Default Structure
ChEBI IDCHEBI:210337
ChEBI NameColletopiperazine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2O4S
Net Charge0
Average Mass308.359
Monoisotopic Mass308.08308
SMILESCS[C@]1(CO)C(=O)N2c3c(O)cccc3CC2C(=O)N1C
InChIInChI=1S/C14H16N2O4S/c1-15-12(19)9-6-8-4-3-5-10(18)11(8)16(9)13(20)14(15,7-17)21-2/h3-5,9,17-18H,6-7H2,1-2H3/t9?,14-/m1/s1
InChIKeyHLTTVBPDCRSKFJ-IWSPRGBSSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum gloeosporioides (ncbitaxon:474922) - PubMed (20541231)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Colletopiperazine (CHEBI:210337) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(3R)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3-methylsulanyl-10,10a-dihydropyrazino[1,2-a]indole-1,4-dione
Manual XrefsDatabases
78442625ChemSpider