CHEBI:213835 - Cyanopeptolin CP985

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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 Cyanopeptolin CP985
ChEBI ID CHEBI:213835
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C50H63N7O14
Net Charge 0
Average Mass 986.089
Monoisotopic Mass 985.44330
InChI InChI=1S/C50H63N7O14/c1-6-10-39(60)51-36(26-41(62)63)45(65)55-43-28(4)71-50(70)42(27(2)3)54-46(66)37(24-31-15-19-33(59)20-16-31)56(5)49(69)38(25-29-11-8-7-9-12-29)57-40(61)22-21-34(48(57)68)52-44(64)35(53-47(43)67)23-30-13-17-32(58)18-14-30/h7-9,11-20,27-28,34-38,40,42-43,58-59,61H,6,10,21-26H2,1-5H3,(H,51,60)(H,52,64)(H,53,67)(H,54,66)(H,55,65)(H,62,63)
InChIKey DYRQEOZVTZDRBA-UHFFFAOYSA-N
SMILES O=C1OC(C(NC(=O)C(NC(=O)CCC)CC(=O)O)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CC5=CC=C(O)C=C5)C
Metabolite of Species Details
Nostoc edaphicum CCNP1411 (NCBI:txid1472755) 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 Cyanopeptolin CP985 (CHEBI:213835) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
4-[[2-benzyl-21-hydroxy-5,15-bis[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(butanoylamino)-4-oxobutanoic acid
Manual Xref Database
78444464 ChemSpider
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