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CHEBI:209044 - Apicidin A

ChEBI IDCHEBI:209044
ChEBI NameApicidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H47N5O5
Net Charge0
Average Mass593.769
Monoisotopic Mass593.35772
SMILESCCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](Cc2cnc3ccccc23)NC1=O
InChIInChI=1S/C33H47N5O5/c1-4-21(3)29-33(43)38-18-12-11-17-28(38)32(42)35-26(16-8-6-7-13-23(39)5-2)30(40)36-27(31(41)37-29)19-22-20-34-25-15-10-9-14-24(22)25/h9-10,14-15,20-21,26-29,34H,4-8,11-13,16-19H2,1-3H3,(H,35,42)(H,36,40)(H,37,41)/t21?,26-,27-,28+,29-/m0/s1
InChIKeyBHYPIIUJEQHYIP-FFSUGSTCSA-N
Species of MetaboliteComponentSourceComments
Fusarium incarnatum (ncbitaxon:298378) - DOI (10.1016/0040-4039(96)01844-8)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Apicidin A (CHEBI:209044) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12R)-3-butan-2-yl-6-(1H-indol-3-ylmethyl)-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
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421964ChemSpider