CHEBI:213901 - Cyanopeptolin CP1020

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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 CP1020
ChEBI ID CHEBI:213901
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C51H73N9O13
Net Charge 0
Average Mass 1020.195
Monoisotopic Mass 1019.53278
InChI InChI=1S/C51H73N9O13/c1-6-7-9-18-40(62)54-36(28-42(64)65)46(67)58-44-30(4)73-51(72)43(29(2)3)57-47(68)37(25-21-31-19-22-33(61)23-20-31)59(5)50(71)38(27-32-14-10-8-11-15-32)60-41(63)26-24-35(49(60)70)56-45(66)34(55-48(44)69)16-12-13-17-39(52)53/h8,10-11,14-15,19-20,22-23,29-30,34-38,41,43-44,61,63H,6-7,9,12-13,16-18,21,24-28H2,1-5H3,(H3,52,53)(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)
InChIKey METOBSVFXVRQPC-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)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 CP1020 (CHEBI:213901) 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-(hexanoylamino)-4-oxobutanoic acid