CHEBI:212615 - Antanapeptin 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 Antanapeptin A
ChEBI ID CHEBI:212615
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H60N4O8
Net Charge 0
Average Mass 736.951
Monoisotopic Mass 736.44111
InChI InChI=1S/C41H60N4O8/c1-11-13-15-22-32-28(8)36(46)42-33(25(3)4)38(48)43(9)31(24-29-19-16-14-17-20-29)40(50)53-35(26(5)6)39(49)45-23-18-21-30(45)37(47)44(10)34(27(7)12-2)41(51)52-32/h1,14,16-17,19-20,25-28,30-35H,12-13,15,18,21-24H2,2-10H3,(H,42,46)/t27?,28?,30-,31-,32?,33-,34-,35-/m0/s1
InChIKey HEWGADDUUGVTPF-CVZHIFNESA-N
SMILES O=C1OC(C(C(=O)N[C@H](C(=O)N([C@@H](CC2=CC=CC=C2)C(O[C@H](C(N3[C@H](C(N([C@H]1C(CC)C)C)=O)CCC3)=O)C(C)C)=O)C)C(C)C)C)CCCC#C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) 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 Antanapeptin A (CHEBI:212615) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,16S,19S)-6-benzyl-16-butan-2-yl-7,12,17-trimethyl-13-pent-4-ynyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Manual Xref Database
10478775 ChemSpider
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