(KDO)2-(palmitoleoyl)-lipid IVA(6-) (CHEBI:61520)

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CHEBI:61520 - (KDO)₂-(palmitoleoyl)-lipid IV_A(6−)

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ChEBI ID	CHEBI:61520
ChEBI Name	(KDO)₂-(palmitoleoyl)-lipid IV_A(6−)
Stars
ASCII Name	(KDO)2-(palmitoleoyl)-lipid IVA(6-)
Definition	A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of (KDO)₂-(palmitoleoyl)-lipid IV_A; major species at pH 7.3.
Last Modified	8 September 2022
Submitter	Eugeni Belda
Downloads	Molfile

Formula	C100H176N2O38P2
Net Charge	-6
Average Mass	2076.432
Monoisotopic Mass	2075.14092
SMILES	[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](OC[C@H]3O[C@@H](OC[C@H]4O[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]4O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]3OP(=O)([O-])[O-])(C(=O)[O-])O[C@]([H])([C@H](O)CO)[C@@H]2O)(C(=O)[O-])C[C@@H](O)[C@H]1O
InChI	InChI=1S/C100H182N2O38P2/c1-6-11-16-21-26-31-32-33-34-39-44-49-54-59-82(113)131-73(58-53-48-43-38-30-25-20-15-10-5)63-81(112)102-86-94(135-84(115)62-72(107)57-52-47-42-37-29-24-19-14-9-4)92(139-141(123,124)125)79(69-130-99(97(119)120)65-77(88(117)91(137-99)76(110)67-104)136-100(98(121)122)64-74(108)87(116)90(138-100)75(109)66-103)133-95(86)129-68-78-89(118)93(134-83(114)61-71(106)56-51-46-41-36-28-23-18-13-8-3)85(96(132-78)140-142(126,127)128)101-80(111)60-70(105)55-50-45-40-35-27-22-17-12-7-2/h31-32,70-79,85-96,103-110,116-118H,6-30,33-69H2,1-5H3,(H,101,111)(H,102,112)(H,119,120)(H,121,122)(H2,123,124,125)(H2,126,127,128)/p-6/b32-31-/t70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,99-,100-/m1/s1
InChIKey	GUGOELZTMNFFOJ-MHGVWHNGSA-H

ChEBI Ontology

Outgoing Relation(s)
	(KDO)₂-(palmitoleoyl)-lipid IV_A(6−) (CHEBI:61520) is a an acyl-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IV_A(6−) (CHEBI:193149)
	(KDO)₂-(palmitoleoyl)-lipid IV_A(6−) (CHEBI:61520) is a lipid A oxoanion (CHEBI:60086)
	(KDO)₂-(palmitoleoyl)-lipid IV_A(6−) (CHEBI:61520) is conjugate base of (KDO)₂-(palmitoleoyl)-lipid IV_A (CHEBI:61558)
Incoming Relation(s)
	(KDO)₂-(palmitoleoyl)-lipid IV_A (CHEBI:61558) is conjugate acid of (KDO)₂-(palmitoleoyl)-lipid IV_A(6−) (CHEBI:61520)

Synonym	Source
(KDO)₂-(palmitoleoyl-myristoyl)-lipid IV_A hexaanion	ChEBI

UniProt Name	Source
(9Z)-hexadecenoyl-(Kdo)₂-lipid IV_A (E. coli)	UniProt

Manual Xrefs	Databases
KDO2-PALMITOLEOYL-LIPID-IVA	MetaCyc