CHEBI:213847 - Cyanopeptolin CP1049

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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 CP1049
ChEBI ID CHEBI:213847
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C53H77N9O13
Net Charge 0
Average Mass 1048.249
Monoisotopic Mass 1047.56408
InChI InChI=1S/C53H77N9O13/c1-6-7-8-9-13-20-42(64)56-38(30-44(66)67)48(69)60-46-32(4)75-53(74)45(31(2)3)59-49(70)39(27-23-33-21-24-35(63)25-22-33)61(5)52(73)40(29-34-16-11-10-12-17-34)62-43(65)28-26-37(51(62)72)58-47(68)36(57-50(46)71)18-14-15-19-41(54)55/h10-12,16-17,21-22,24-25,31-32,36-40,43,45-46,63,65H,6-9,13-15,18-20,23,26-30H2,1-5H3,(H3,54,55)(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)
InChIKey XTMLAEGIWFDMIU-UHFFFAOYSA-N
SMILES O=C1OC(C(NC(=O)C(NC(=O)CCCCCCC)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)CCCCC(=N)N)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 CP1049 (CHEBI:213847) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
4-[[15-(5-amino-5-iminopentyl)-2-benzyl-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-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-(octanoylamino)-4-oxobutanoic acid