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CHEBI:200997 - Antanapeptin D

ChEBI IDCHEBI:200997
ChEBI NameAntanapeptin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H58N4O8
Net Charge0
Average Mass722.924
Monoisotopic Mass722.42546
SMILESC#CCCCC1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)C1C
InChIInChI=1S/C40H58N4O8/c1-11-12-14-21-31-27(8)35(45)41-32(24(2)3)37(47)42(9)30(23-28-18-15-13-16-19-28)39(49)52-34(26(6)7)38(48)44-22-17-20-29(44)36(46)43(10)33(25(4)5)40(50)51-31/h1,13,15-16,18-19,24-27,29-34H,12,14,17,20-23H2,2-10H3,(H,41,45)/t27?,29-,30-,31?,32-,33-,34-/m0/s1
InChIKeyHGDNKULJQQBFCT-DQNVORKUSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (11809058)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Antanapeptin D (CHEBI:200997) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,16S,19S)-6-benzyl-7,12,17-trimethyl-13-pent-4-ynyl-3,9,16-tri(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Manual XrefsDatabases
9040738ChemSpider