CHEBI:216071 - Porpoisamide A

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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 Porpoisamide A
ChEBI ID CHEBI:216071
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H50N4O6
Net Charge 0
Average Mass 598.785
Monoisotopic Mass 598.37304
InChI InChI=1S/C33H50N4O6/c1-7-9-11-17-25-22(4)33(42)43-28(21(3)8-2)32(41)37-19-14-18-26(37)31(40)36(6)27(20-24-15-12-10-13-16-24)30(39)34-23(5)29(38)35-25/h10,12-13,15-16,21-23,25-28H,7-9,11,14,17-20H2,1-6H3,(H,34,39)(H,35,38)/t21-,22-,23-,25+,26-,27+,28-/m0/s1
InChIKey JLTRPFNFKJZRBM-BKZRQWESSA-N
SMILES O=C1O[C@H](C(=O)N2[C@H](C(=O)N([C@H](CC3=CC=CC=C3)C(N[C@H](C(N[C@@H]([C@@H]1C)CCCCC)=O)C)=O)C)CCC2)[C@H](CC)C
Metabolite of Species Details
Lyngbya (NCBI:txid28073) 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 Porpoisamide A (CHEBI:216071) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,7R,10S,13R,16S)-13-benzyl-3-[(2S)-butan-2-yl]-6,10,14-trimethyl-7-pentyl-4-oxa-1,8,11,14-tetrazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Manual Xref Database
27025758 ChemSpider
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