lipid IIA(2-) (CHEBI:86226)

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CHEBI:86226 - lipid II_A(2−)

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ChEBI ID	CHEBI:86226
ChEBI Name	lipid II_A(2−)
Stars
ASCII Name	lipid IIA(2-)
Definition	The lipid oxoanion formed from lipid II_A by deprotonation of the phosphate hydroxy groups and protonation of the amino group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified	8 July 2015
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C73H137N3O26P2
Net Charge	-2
Average Mass	1534.842
Monoisotopic Mass	1533.89765
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]3OC[C@H]([NH3+])[C@H](O)[C@H]3O)[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/C73H139N3O26P2/c1-5-9-13-17-21-25-29-33-37-41-52(78)45-59(82)75-63-69(98-61(84)47-54(80)43-39-35-31-27-23-19-15-11-7-3)66(87)58(97-72(63)101-104(92,93)102-73-67(88)65(86)56(74)50-94-73)51-95-71-64(76-60(83)46-53(79)42-38-34-30-26-22-18-14-10-6-2)70(68(57(49-77)96-71)100-103(89,90)91)99-62(85)48-55(81)44-40-36-32-28-24-20-16-12-8-4/h52-58,63-73,77-81,86-88H,5-51,74H2,1-4H3,(H,75,82)(H,76,83)(H,92,93)(H2,89,90,91)/p-2/t52-,53-,54-,55-,56+,57-,58-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1
InChIKey	TYGQMXOPLFWYPM-ISFHUDAKSA-L

ChEBI Ontology

Outgoing Relation(s)
	lipid II_A(2−) (CHEBI:86226) is a a lipid II_A(2−) (CHEBI:193144)
	lipid II_A(2−) (CHEBI:86226) is a lipid A oxoanion (CHEBI:60086)
	lipid II_A(2−) (CHEBI:86226) is conjugate acid of lipid II_A(3−) (CHEBI:61734)
	lipid II_A(2−) (CHEBI:86226) is conjugate base of lipid II_A (CHEBI:61735)
Incoming Relation(s)
	lipid II_A (CHEBI:61735) is conjugate acid of lipid II_A(2−) (CHEBI:86226)
	lipid II_A(3−) (CHEBI:61734) is conjugate base of lipid II_A(2−) (CHEBI:86226)

IUPAC Name
4-azaniumyl-4-deoxy-β-L-arabinopyranosyl 2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphonato-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-α-D-glucopyranosyl phosphate

UniProt Name	Source
lipid II_A	UniProt

Manual Xrefs	Databases
CPD-13350	MetaCyc