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CHEBI:199003 - Communesin I

ChEBI IDCHEBI:199003
ChEBI NameCommunesin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40N4O3
Net Charge0
Average Mass528.697
Monoisotopic Mass528.31004
SMILESCCC[C@H](O)CC(=O)N1CC[C@@]23c4ccccc4N[C@@H]4N(C)c5cccc6c5[C@@]42CCN([C@@H]13)[C@@H]6[C@H]1OC1(C)C
InChIInChI=1S/C32H40N4O3/c1-5-9-19(37)18-24(38)35-16-14-31-21-11-6-7-12-22(21)33-28-32(31)15-17-36(29(31)35)26(27-30(2,3)39-27)20-10-8-13-23(25(20)32)34(28)4/h6-8,10-13,19,26-29,33,37H,5,9,14-18H2,1-4H3/t19-,26-,27+,28+,29+,31-,32-/m0/s1
InChIKeyMDCQGUSSMLOSLN-RQIFQPJOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26506361)
ChEBI Ontology
Outgoing Relation(s)
Communesin I (CHEBI:199003) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(3S)-1-[(2S,6R,14R,22R,25S)-25-[(2R)-3,3-dimethyloxiran-2-yl]-15-methyl-1,3,13,15-tetrazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one
Manual XrefsDatabases
40256680ChemSpider