CHEBI:220383 - Peptidolipin B

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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 B
ChEBI ID CHEBI:220383
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C59H107N7O11
Net Charge 0
Average Mass 1090.543
Monoisotopic Mass 1089.80286
InChI InChI=1S/C59H107N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-45-38-47(68)61-51(43(9)67)57(73)63-48(39(3)4)54(70)60-42(8)58(74)66-37-34-36-46(66)53(69)64-50(41(7)13-2)56(72)62-49(40(5)6)55(71)65-52(44(10)76-11)59(75)77-45/h39-46,48-52,67H,12-38H2,1-11H3,(H,60,70)(H,61,68)(H,62,72)(H,63,73)(H,64,69)(H,65,71)/t41-,42-,43+,44+,45+,46+,48-,49-,50+,51-,52-/m0/s1
InChIKey AZLHFAKIYLIXEW-JWEYKXOCSA-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)CCCCCCCCCCCCCCCCCCCCCCC
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 )
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ChEBI Ontology
Outgoing Peptidolipin B (CHEBI:220383) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,13R,16S,19S,22R,25R)-22-[(2S)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-16-[(1R)-1-methoxyethyl]-3-methyl-6,19-di(propan-2-yl)-13-tricosyl-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
29214367 ChemSpider
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