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((9Z)-hexadecenoyl-tetradecanoyl)-(Kdo)2-lipid A

Properties

Image

Occurences in reactions

MNX_ID

MNXM738729

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	1

formula

C₁₁₄H₂₀₂N₂O₃₉P₂

charge

-6

mass

2285.33929

reference

chebi:61522

InChIKey

YMYMIWUIGJUAIZ-LSPGFKFTSA-H

InChI

InChI=1S/C114H208N2O39P2/c1-7-13-19-25-31-37-39-40-42-48-54-59-65-71-95(126)145-85(69-63-57-51-45-35-29-23-17-11-5)75-94(125)116-100-108(150-98(129)76-86(70-64-58-52-46-36-30-24-18-12-6)146-96(127)72-66-60-53-47-41-38-32-26-20-14-8-2)106(154-156(137,138)139)92(82-144-113(111(133)134)78-90(102(131)105(152-113)89(123)80-118)151-114(112(135)136)77-87(121)101(130)104(153-114)88(122)79-117)148-109(100)143-81-91-103(132)107(149-97(128)74-84(120)68-62-56-50-44-34-28-22-16-10-4)99(110(147-91)155-157(140,141)142)115-93(124)73-83(119)67-61-55-49-43-33-27-21-15-9-3/h37,39,83-92,99-110,117-123,130-132H,7-36,38,40-82H2,1-6H3,(H,115,124)(H,116,125)(H,133,134)(H,135,136)(H2,137,138,139)(H2,140,141,142)/p-6/b39-37-/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,113-,114-/m1/s1

SMILES

CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CCCCCCCCCCC)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@]2(C(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61522 chebi:61522	((9Z)-hexadecenoyl-tetradecanoyl)-(Kdo)2-lipid A (KDO)2-(palmitoleoyl-myristoyl)-lipid A hexaanion (KDO)2-(palmitoleoyl-myristoyl)-lipid A(6-) (KDO)2-lipid A, cold adapted
CHEBI:61556 chebi:61556	(KDO)2-(palmitoleoyl-myristoyl)-lipid A 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-2-({(3R)-3-[(9Z)-hexadec-9-enoyloxy]tetradecanoyl}amino)-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
metacyc.compound:KDO2-LIPID-IVA-COLD metacycM:KDO2-LIPID-IVA-COLD	(Kdo)2-lipid A, cold adapted Kdo2-(palmitoleoyl-myristoyl)-lipid A Kdo2-lipid A, cold adapted cold adapted Kdo(2)-lipid (A)
kegg.compound:C21991 keggC:C21991	Palmitoleoyl-myristoyl-KDO2-lipid A (KDO)2-(palmitoleoyl-myristoyl)-lipid A Cold adapted KDO2-lipid A
seed.compound:cpd15493 seedM:cpd15493	cold adapted KDO(2)-lipid (A) (Kdo)2-lipid A, cold adapted KDO2-(palmitoleoyl-myristoyl)-lipid A KDO2-lipid A, cold adapted Kdo2-(palmitoleoyl-myristoyl)-lipid A Kdo2-lipid A, cold adapted cold adapted Kdo(2)-lipid (A) lipa_cold
keggC:M_C21991 seedM:M_cpd15493	secondary/obsolete/fantasy identifier