CHEBI:208867 - Trungapeptin C

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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 Trungapeptin C
ChEBI ID CHEBI:208867
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H62N4O8
Net Charge 0
Average Mass 726.956
Monoisotopic Mass 726.45676
InChI InChI=1S/C40H62N4O8/c1-10-12-14-21-30-27(8)35(45)41-32(24(3)4)38(48)43(9)34(25(5)6)40(50)52-31(23-28-18-15-13-16-19-28)37(47)44-22-17-20-29(44)36(46)42-33(26(7)11-2)39(49)51-30/h13,15-16,18-19,24-27,29-34H,10-12,14,17,20-23H2,1-9H3,(H,41,45)(H,42,46)/t26-,27-,29-,30+,31-,32-,33-,34-/m0/s1
InChIKey PFIIIBNSVVUPKA-URWRVPRISA-N
SMILES O=C1O[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)C)CCCCC)[C@H](CC)C)CCC2)CC3=CC=CC=C3
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 Trungapeptin C (CHEBI:208867) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,12S,13R,16S,19S)-3-benzyl-16-[(2S)-butan-2-yl]-7,12-dimethyl-13-pentyl-6,9-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
10167281 ChemSpider
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