Peptidolipin E (CHEBI:200079)

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CHEBI:200079 - Peptidolipin E

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ChEBI ID	CHEBI:200079
ChEBI Name	Peptidolipin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C61H109N7O11
Net Charge	0
Average Mass	1116.581
Monoisotopic Mass	1115.81851
SMILES	CCCCCCCC/C=C\CCCCCCCCCCCCCCC[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
InChI	InChI=1S/C61H109N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-47-40-49(70)63-53(45(9)69)59(75)65-50(41(3)4)56(72)62-44(8)60(76)68-39-36-38-48(68)55(71)66-52(43(7)13-2)58(74)64-51(42(5)6)57(73)67-54(46(10)78-11)61(77)79-47/h20-21,41-48,50-54,69H,12-19,22-40H2,1-11H3,(H,62,72)(H,63,70)(H,64,74)(H,65,75)(H,66,71)(H,67,73)/b21-20-/t43-,44-,45+,46+,47+,48+,50-,51-,52+,53-,54-/m0/s1
InChIKey	FDSYBTTXIDEREA-XWTMVZHXSA-N

Species of Metabolite	Component	Source	Comments
Nocardiaspecies (ncbitaxon:1821)	-	PubMed (22482367)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Peptidolipin E (CHEBI:200079) 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-13-[(Z)-pentacos-16-enyl]-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 Xrefs	Databases
29214370	ChemSpider