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CHEBI:215884 - Colisporifungin

ChEBI IDCHEBI:215884
ChEBI NameColisporifungin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H66N8O10
Net Charge0
Average Mass903.091
Monoisotopic Mass902.49019
SMILESCCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)NCCC(=O)N[C@H](Cc2cnc3ccccc23)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccccc2)C(=O)O[C@@H]1C
InChIInChI=1S/C47H66N8O10/c1-3-4-5-6-7-8-9-10-14-21-40(58)51-35(22-23-39(48)57)43(60)55-42-30(2)65-47(64)37(26-31-17-12-11-13-18-31)53-45(62)38(29-56)54-44(61)36(52-41(59)24-25-49-46(42)63)27-32-28-50-34-20-16-15-19-33(32)34/h11-13,15-20,28,30,35-38,42,50,56H,3-10,14,21-27,29H2,1-2H3,(H2,48,57)(H,49,63)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,60)/t30-,35+,36-,37-,38+,42+/m1/s1
InChIKeyIYDPPFXSKSVCFU-OKQHFOSFSA-N
Species of MetaboliteComponentSourceComments
Colispora cavincola (ncbitaxon:2074856) - PubMed (25636062)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Colisporifungin (CHEBI:215884) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-N-[(3R,6S,9R,16S,17R)-3-benzyl-6-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetrazacycloheptadec-16-yl]-2-(dodecanoylamino)pentanediamide
Manual XrefsDatabases
59005688ChemSpider