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CMP-3-deoxy-alpha-D-manno-octulosonic acid

MNXM535 is deprecated and here replaced by MNXM1108329
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108329

	#reac
in my sandbox	0
in MNXref (generic)	24
in models (compartimentalized)	4

formula

C₁₇H₂₆N₃O₁₅P

charge

mass

543.11015

reference

chebi:18014

InChIKey

YWWJKULNWGRYAS-XKKDATLGSA-N

InChI

InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1

SMILES

Nc1ccn([C@@H]2O[C@H](COP(=O)(O)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]2O)c(=O)n1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18014 chebi:18014	CMP-3-deoxy-alpha-D-manno-octulosonic acid CMP-KDO cytidine 5'-[(3-deoxy-alpha-D-manno-oct-2-ulopyranosonyl) hydrogen phosphate]
sabiork.compound:7094 sabiorkM:7094	CMP-3-deoxy-D-manno-octulosonate CMP-KDO
CHEBI:59825 chebi:59825	CMP-3-deoxy-alpha-D-manno-octulosonate(2-) CMP-3-deoxy-D-manno-octulosonate dianion
metacyc.compound:CMP-KDO metacycM:CMP-KDO	CMP-3-deoxy-beta-D-manno-octulosonate CMP-2-dehydro-3-deoxy-D-octonate CMP-Kdo CMP-beta-Kdo CMP-ketodeoxyoctonate
seed.compound:cpd02546 seedM:cpd02546	CMP-KDO CMP-2-dehydro-3-deoxy-D-octonate CMP-3-deoxy-D-manno-octulosonate CMP-3-deoxy-beta-D-manno-octulosonate CMP-Kdo CMP-alpha-Kdo CMP-beta-Kdo CMP-ketodeoxyoctonate ckdo
chebi:13275 chebi:20874 chebi:3277 seedM:M_cpd02546	secondary/obsolete/fantasy identifier