CHEBI:227690 - Hectochlorin C

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ChEBI Name Hectochlorin C
ChEBI ID CHEBI:227690
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H35ClN2O9S2
Net Charge 0
Average Mass 631.150
Monoisotopic Mass 630.14725
InChI InChI=1S/C27H35ClN2O9S2/c1-13(28)9-8-10-18-14(2)23(32)38-19(26(4,5)35)21-30-17(12-40-21)25(34)39-27(6,7)20(36-15(3)31)22-29-16(11-41-22)24(33)37-18/h11-14,18-20,35H,8-10H2,1-7H3
InChIKey NJCRSCPKMAXMKK-UHFFFAOYSA-N
SMILES ClC(CCCC1OC(=O)C=2N=C(C(OC(=O)C)C(OC(C=3N=C(C(OC(C1C)=O)C(O)(C)C)SC3)=O)(C)C)SC2)C
Metabolite of Species Details
Moorena producens JHB (NCBI:txid1454205) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Hectochlorin C (CHEBI:227690) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
[12-(4-chloropentyl)-16-(2-hydroxypropan-2-yl)-4,4,13-trimethyl-2,10,14-trioxo-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraen-5-yl] acetate
Manual Xref Database
40256833 ChemSpider
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