Feedback

alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA

MNXM824 is deprecated and here replaced by MNXM1104740
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104740

	#reac
in my sandbox	0
in MNXref (generic)	33
in models (compartimentalized)	24

formula

C₈₄H₁₄₈N₂O₃₇P₂

charge

-6

mass

1838.92691

reference

chebi:60365

InChIKey

XAOLJGCZESYRFT-VHSKNIDJSA-H

InChI

InChI=1S/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/p-6/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/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@]4(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O4)[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:60365 chebi:60365	alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA (KDO)2-lipid IVA(6-)
CHEBI:28526 chebi:28526	(KDO)2-lipid IVA 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-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 Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A) KDO2-lipid IV(A)
bigg.metabolite:kdo2lipid4 biggM:kdo2lipid4	KDO(2)-lipid IV(A)
kegg.compound:C06025 keggC:C06025	KDO2-lipid IVA Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A) KDO2-lipid IV(A)
metacyc.compound:KDO2-LIPID-IVA metacycM:KDO2-LIPID-IVA	alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA (E. coli) (3-deoxy-alpha-D-manno-oct-2-ulopyranosylonate)-(2->4)-(3-deoxy-alpha-D-manno-oct-2-ulopyranosylonate)-(2->6)-2-deoxy-2-[[(3R)-3-hydroxytetradecanoyl]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)2-lipid IVA (E. coli) Re-LPS
seed.compound:cpd03586 seedM:cpd03586	kdo2-lipid iva (3-deoxy-alpha-D-manno-oct-2-ulopyranosylonate)-(2->4)-(3-deoxy-alpha-D-manno-oct-2-ulopyranosylonate)-(2->6)-2-deoxy-2-[[(3R)-3-hydroxytetradecanoyl]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)2-lipid IVA Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A) KDO(2)-lipid IV(A) KDO2-lipid IV(A) Kdo2-lipid IV(A) Re-LPS alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA kdo2lipid4
chebi:23657 chebi:4477 biggM:M_kdo2lipid4 keggC:M_C06025 seedM:M_cpd03586	secondary/obsolete/fantasy identifier