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alpha-Kdo-(2->6)-lipid IVA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101307

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	11

formula

C₇₆H₁₃₇N₂O₃₀P₂

charge

-5

mass

1619.87588

reference

chebi:60364

InChIKey

GPNCBCJEDRRCDW-ACUQGRCXSA-I

InChI

InChI=1S/C76H142N2O30P2/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(86)77-65-71(104-63(88)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(91)59(102-74(65)108-110(97,98)99)51-100-73-66(78-62(87)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(105-64(89)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(107-109(94,95)96)60(103-73)52-101-76(75(92)93)49-57(84)67(90)69(106-76)58(85)50-79/h53-60,65-74,79-85,90-91H,5-52H2,1-4H3,(H,77,86)(H,78,87)(H,92,93)(H2,94,95,96)(H2,97,98,99)/p-5/t53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,76-/m1/s1

SMILES

CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)([O-])[O-])O[C@H](CO[C@@H]2O[C@H](CO[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](OP(=O)([O-])[O-])[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60364 chebi:60364	alpha-Kdo-(2->6)-lipid IVA (KDO)-lipid IVA(5-)
CHEBI:27439 chebi:27439	(KDO)-lipid IVA 3-Deoxy-D-manno-octulosonyl-2',3',2',3'-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate 3-Deoxy-D-manno-octulosonyl-lipid IV(A) 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose KDO-lipid IV(A)
kegg.compound:C06024 keggC:C06024	3-Deoxy-D-manno-octulosonyl-lipid IV(A) 3-Deoxy-D-manno-octulosonyl-2',3',2',3'-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate KDO-lipid IV(A)
bigg.metabolite:kdolipid4 biggM:kdolipid4	KDO-lipid IV(A)
seed.compound:cpd03585 seedM:cpd03585	KDO-lipid IV(A) (KDO)-lipid IVA (kdo)-lipid iv(a) 3-Deoxy-D-manno-octulosonyl-2',3',2',3'-tetrakis(beta- hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate 3-Deoxy-D-manno-octulosonyl-2',3',2',3'-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate 3-Deoxy-D-manno-octulosonyl-lipid IV(A) 3-deoxy-alpha-D-manno-oct-2-ulopyranosyl-(2->6)-2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose Kdo-lipid IV(A) alpha-Kdo-(2->6)-lipid IVA kdolipid4
metacyc.compound:KDO-LIPID-IVA metacycM:KDO-LIPID-IVA	alpha-Kdo-(2->6)-lipid IVA (E. coli) (KDO)-lipid IVA (E. coli) 3-Deoxy-D-manno-octulosonyl-lipid IV(A) (E. coli) 3-deoxy-alpha-D-manno-oct-2-ulopyranosyl-(2->6)-2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
chebi:1496 chebi:20009 biggM:M_kdolipid4 keggC:M_C06024 seedM:M_cpd03585	secondary/obsolete/fantasy identifier