CHEBI:190262 - Penitrem C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Penitrem C
ChEBI ID CHEBI:190262
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H44ClNO4
Net Charge 0
Average Mass 602.210
Monoisotopic Mass 601.29589
InChI InChI=1S/C37H44ClNO4/c1-16(2)31-25(40)14-21-26(42-31)9-10-35(6)36(7)20(8-11-37(21,35)41)32-30-29-24(39-33(30)36)15-23(38)19-12-17(3)18-13-22(27(18)28(19)29)34(4,5)43-32/h14-15,18,20,22,25-27,31-32,39-41H,1,3,8-13H2,2,4-7H3
InChIKey BVVRIERIEDMORG-UHFFFAOYSA-N
SMILES ClC1=C2C=3C4C(C(OC5C6C(C7(C(O)(CC6)C=8C(OC(C(O)C8)C(C)=C)CC7)C)(C=9NC(C3C59)=C1)C)(C)C)CC4C(C2)=C
Metabolite of Species Details
Chaetomiumspecies (NCBI:txid1769349) See: DOI
Synechococcus elongatus PCC 7942 (NCBI:txid32046) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing Penitrem C (CHEBI:190262) is a organic heterotricyclic compound (CHEBI:26979)
Penitrem C (CHEBI:190262) is a organooxygen compound (CHEBI:36963)
IUPAC Names
(1S,2R,5S,8R,9R,11S,14R,15S,24S,26S,27S)-20-chloro-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18,20,28-pentaene-5,8-diol
20-chloro-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18,20,28-pentaene-5,8-diol
Manual Xrefs Databases
106698 ChemSpider
31115353 ChemSpider
C20795 KEGG COMPOUND
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