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CHEBI:180988 - Apicidin C

ChEBI IDCHEBI:180988
ChEBI NameApicidin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H47N5O6
Net Charge0
Average Mass609.768
Monoisotopic Mass609.35263
SMILES[H][C@]12CCCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1cn(OC)c3ccccc13)NC(=O)[C@H](CCCCCC(=O)CC)NC2=O
InChIInChI=1S/C33H47N5O6/c1-5-23(39)13-7-6-8-15-25-30(40)35-26(19-22-20-38(44-4)27-16-10-9-14-24(22)27)31(41)36-29(21(2)3)33(43)37-18-12-11-17-28(37)32(42)34-25/h9-10,14,16,20-21,25-26,28-29H,5-8,11-13,15,17-19H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t25-,26-,28+,29-/m0/s1
InChIKeyGWLHFNKLJRZBAI-KGKLHAENSA-N
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 C (CHEBI:180988) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12R)-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-3-propan-2-yl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
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