CHEBI:202237 - Pipalamycin

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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 Pipalamycin
ChEBI ID CHEBI:202237
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H66N8O12
Net Charge 0
Average Mass 839.001
Monoisotopic Mass 838.48002
InChI InChI=1S/C39H66N8O12/c1-9-28-25(15-14-21(2)3)16-17-39(56,59-28)38(8,55)37(54)44-30-31(22(4)5)58-36(53)23(6)43-33(50)26-12-10-18-41-45(26)29(48)20-40-32(49)24(7)47(57)34(51)27-13-11-19-42-46(27)35(30)52/h21-28,30-31,41-42,55-57H,9-20H2,1-8H3,(H,40,49)(H,43,50)(H,44,54)
InChIKey ORTXNXVKTPOBSS-UHFFFAOYSA-N
SMILES O=C1OC(C(NC(=O)C(O)(C2(OC(C(CCC(C)C)CC2)CC)O)C)C(=O)N3NCCCC3C(=O)N(O)C(C)C(NCC(N4C(C(NC1C)=O)CCCN4)=O)=O)C(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 Pipalamycin (CHEBI:202237) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-[6-ethyl-2-hydroxy-5-(3-methylbutyl)oxan-2-yl]-2-hydroxy-N-(7-hydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl)propanamide
Manual Xref Database
8503621 ChemSpider
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