beta-L-Ara4N-lipid A (E. coli) (CHEBI:134258)

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CHEBI:134258 - β-L-Ara4N-lipid A (E. coli)

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ChEBI ID	CHEBI:134258
ChEBI Name	β-L-Ara4N-lipid A (E. coli)
Stars
ASCII Name	beta-L-Ara4N-lipid A (E. coli)
Definition	A β-L-Ara4N-lipid A that is isolated from E. coli.
Last Modified	20 January 2017
Submitter	Steve
Downloads	Molfile

Formula	C99H187N3O28P2
Net Charge	0
Average Mass	1929.526
Monoisotopic Mass	1928.27764
SMILES	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(=O)(O)O[C@H]1OC[C@H](N)[C@H](O)[C@H]1O
InChI	InChI=1S/C99H187N3O28P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-86(109)123-79(66-60-54-48-42-35-29-23-17-11-5)72-88(111)127-96-90(102-84(107)71-78(65-59-53-47-41-34-28-22-16-10-4)122-85(108)67-61-55-49-43-36-30-24-18-12-6)97(124-81(73-103)94(96)128-132(118,119)130-99-93(114)91(112)80(100)74-120-99)121-75-82-92(113)95(126-87(110)70-77(105)64-58-52-46-40-33-27-21-15-9-3)89(98(125-82)129-131(115,116)117)101-83(106)69-76(104)63-57-51-45-39-32-26-20-14-8-2/h76-82,89-99,103-105,112-114H,7-75,100H2,1-6H3,(H,101,106)(H,102,107)(H,118,119)(H2,115,116,117)/t76-,77-,78-,79-,80+,81-,82-,89-,90-,91+,92-,93-,94-,95-,96-,97-,98-,99-/m1/s1
InChIKey	YMFWPVNDZMQXAY-ZHOUPIGSSA-N

Roles Classification

Biological Roles:

Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) has functional parent lipid A (E. coli) (CHEBI:134256)
	β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) has role Escherichia coli metabolite (CHEBI:76971)
	β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) is a dodecanoate ester (CHEBI:87659)
	β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) is a tetradecanoate ester (CHEBI:87691)
	β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) is a β-L-Ara4N-lipid A (CHEBI:47763)
	β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) is conjugate acid of β-L-Ara4N-lipid A(2−) (E. coli) (CHEBI:134259)
Incoming Relation(s)
Incoming Relation(s)	β-L-Ara4N-lipid A(2−) (E. coli) (CHEBI:134259) is conjugate base of β-L-Ara4N-lipid A (E. coli) (CHEBI:134258)

IUPAC Name
4-O-[4-amino-4-deoxy-β-L-arabinopyranosyloxy(hydroxy)phosphoryl]-2-deoxy-6-O-(2-deoxy-2-[(3R)-3-(dodecanoyloxy)tetradecanamido]-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-α-D-glucopyranose

Synonym	Source
E. coli β-L-Ara4N-lipid A	ChEBI

Citations