CHEBI:218932 - Cordycommunin

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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 Cordycommunin
ChEBI ID CHEBI:218932
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H69N7O11
Net Charge 0
Average Mass 860.063
Monoisotopic Mass 859.50551
InChI InChI=1S/C43H69N7O11/c1-7-8-9-10-11-12-13-15-31-16-14-17-35(54)49-37(28(6)51)42(59)46-26(4)38(55)45-27(5)39(56)47-32(22-23-34(44)53)40(57)48-33(24-29-18-20-30(52)21-19-29)41(58)50-36(25(2)3)43(60)61-31/h18-21,25-28,31-33,36-37,51-52H,7-17,22-24H2,1-6H3,(H2,44,53)(H,45,55)(H,46,59)(H,47,56)(H,48,57)(H,49,54)(H,50,58)/t26-,27-,28+,31?,32-,33-,36-,37+/m0/s1
InChIKey RNGNPXFWUBOPJZ-AXUOUUTOSA-N
SMILES O=C1OC(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CC2=CC=C(O)C=C2)=O)CCC(=O)N)=O)C)C)[C@H](O)C)CCCCCCCCC
Metabolite of Species Details
Ophiocordyceps (NCBI:txid474995) 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 Cordycommunin (CHEBI:218932) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
3-[(3S,6S,9S,12S,15S,18R)-18-[(1R)-1-hydroxyethyl]-6-[(4-hydroxyphenyl)methyl]-12,15-dimethyl-24-nonyl-2,5,8,11,14,17,20-heptaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19-hexazacyclotetracos-9-yl]propanamide
Manual Xref Database
24667135 ChemSpider
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