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CHEBI:201269 - Peptidolipin D

ChEBI IDCHEBI:201269
ChEBI NamePeptidolipin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H115N7O11
Net Charge0
Average Mass1146.651
Monoisotopic Mass1145.86546
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)OC)C(=O)O1
InChIInChI=1S/C63H115N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-49-42-51(72)65-55(47(9)71)61(77)67-52(43(3)4)58(74)64-46(8)62(78)70-41-38-40-50(70)57(73)68-54(45(7)13-2)60(76)66-53(44(5)6)59(75)69-56(48(10)80-11)63(79)81-49/h43-50,52-56,71H,12-42H2,1-11H3,(H,64,74)(H,65,72)(H,66,76)(H,67,77)(H,68,73)(H,69,75)/t45-,46-,47+,48+,49+,50+,52-,53-,54+,55-,56-/m0/s1
InChIKeyRPSGJGYXZOOBMN-ZUILLPQWSA-N
Species of MetaboliteComponentSourceComments
Nocardiaspecies (ncbitaxon:1821) - PubMed (22482367)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Peptidolipin D (CHEBI:201269) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,13R,16S,19S,22R,25R)-22-[(2S)-butan-2-yl]-13-heptacosyl-9-[(1R)-1-hydroxyethyl]-16-[(1R)-1-methoxyethyl]-3-methyl-6,19-di(propan-2-yl)-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-octone
Manual XrefsDatabases
29214369ChemSpider