lipid IVA (CHEBI:29056)

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CHEBI:29056 - lipid IV_A

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ChEBI ID	CHEBI:29056
ChEBI Name	lipid IV_A
Stars
ASCII Name	lipid IVA
Definition	A tetra-acylated lipid A produced by E. coli as an intermediate in the lipid A biosynthetic pathway.
Secondary ChEBI IDs	CHEBI:863, CHEBI:11407, CHEBI:19292, CHEBI:19294, CHEBI:28165
Last Modified	10 August 2015
Downloads	Molfile

Formula	C68H130N2O23P2
Net Charge	0
Average Mass	1405.727
Monoisotopic Mass	1404.85396
SMILES	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[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](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
InChI	InChI=1S/C68H130N2O23P2/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(90-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)56(89-68(61)93-95(84,85)86)50-87-67-62(70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2)66(64(55(49-71)88-67)92-94(81,82)83)91-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4/h51-56,61-68,71-75,80H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,81,82,83)(H2,84,85,86)/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1
InChIKey	KVJWZTLXIROHIL-QDORLFPLSA-N

ChEBI Ontology

Outgoing Relation(s)
	lipid IV_A (CHEBI:29056) is a lipid As (CHEBI:25051)
	lipid IV_A (CHEBI:29056) is conjugate acid of lipid IV_A(4−) (CHEBI:58603)
Incoming Relation(s)
	7-O-[(2-aminoethyl)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IV_A (CHEBI:87415) has functional parent lipid IV_A (CHEBI:29056)
	lipid IV_B (CHEBI:87244) has functional parent lipid IV_A (CHEBI:29056)
	lipid IV_A(4−) (CHEBI:58603) is conjugate base of lipid IV_A (CHEBI:29056)

IUPAC Name
2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-α-D-glucopyranose

Synonyms	Source
2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate	KEGG COMPOUND
2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate	KEGG COMPOUND
Lipid A disaccharide bisphosphate	KEGG COMPOUND
lipid IVa	ChEBI
lipid IVA	LIPID MAPS
Lipid IV(A)	KEGG COMPOUND

Manual Xrefs	Databases
C04919	KEGG COMPOUND
LMSL01040001	LIPID MAPS

Registry Numbers	Sources
Beilstein:4648798	Beilstein