CHEBI:201269 - Peptidolipin D

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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 Peptidolipin D
ChEBI ID CHEBI:201269
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C63H115N7O11
Net Charge 0
Average Mass 1146.651
Monoisotopic Mass 1145.86546
InChI InChI=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
InChIKey RPSGJGYXZOOBMN-ZUILLPQWSA-N
SMILES O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(N2[C@@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](OC)C)=O)C(C)C)=O)[C@H](CC)C)=O)CCC2)=O)C(C)C)[C@H](O)C)CCCCCCCCCCCCCCCCCCCCCCCCCCC
Metabolite of Species Details
Nocardiaspecies (NCBI:txid1821) 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 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 Xref Database
29214369 ChemSpider
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