CHEBI:213875 - Cyanopeptolin CP1027

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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 CP1027
ChEBI ID CHEBI:213875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H69N7O14
Net Charge 0
Average Mass 1028.170
Monoisotopic Mass 1027.49025
InChI InChI=1S/C53H69N7O14/c1-6-7-9-14-42(63)54-39(29-44(65)66)48(68)58-46-31(4)74-53(73)45(30(2)3)57-49(69)40(25-19-32-15-20-35(61)21-16-32)59(5)52(72)41(28-33-12-10-8-11-13-33)60-43(64)26-24-37(51(60)71)55-47(67)38(56-50(46)70)27-34-17-22-36(62)23-18-34/h8,10-13,15-18,20-23,30-31,37-41,43,45-46,61-62,64H,6-7,9,14,19,24-29H2,1-5H3,(H,54,63)(H,55,67)(H,56,70)(H,57,69)(H,58,68)(H,65,66)
InChIKey SFSUGVXAKPFWSV-UHFFFAOYSA-N
SMILES O=C1OC(C(NC(=O)C(NC(=O)CCCCC)CC(=O)O)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(C)C)=O)CCC3=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 CP1027 (CHEBI:213875) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
4-[[2-benzyl-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-15-[(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-(hexanoylamino)-4-oxobutanoic acid