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2'-N-acetylparomamine

PropertiesImage
MNX_IDMNXM9740 Image of MNXM9740
referencechebi:65010
formulaC14H29N3O8
global charge2
mol weight367.399
InChIKeyARLIVUJSSKFVPL-JPYLPOILSA-P
InChIInChI=1S/C14H27N3O8/c1-4(19)17-8-11(22)10(21)7(3-18)24-14(8)25-13-6(16)2-5(15)9(20)12(13)23/h5-14,18,20-23H,2-3,15-16H2,1H3,(H,17,19)/p+2/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C14H27N3O8/c1-4(19)17-8-11(22)10(21)7(3-18)24-14(8)25-13-6(16)2-5(15)9(20)12(13)23/h5-14,18,20-23H,2-3,15-16H2,1H3,(H,17,19)/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14-/m1/s1 Image of MNXM9740
SMILES (mnx)[CH3:1][C:4](=[N:17][C@@H:8]1[C@@H:11]([OH:22])[C@H:10]([OH:21])[C@@H:7]([CH2:3][OH:18])[O:24][C@@H:14]1[O:25][C@@H:13]1[C@@H:6]([NH2:16])[CH2:2][C@@H:5]([NH2:15])[C@H:9]([OH:20])[C@H:12]1[OH:23])[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65010
chebi:65010
ARLIVUJSSKFVPL-JPYLPOILSA-P 		2'-N-acetylparomamine
(1R,3S,4R,5R,6S)-4-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxycyclohexane-1,3-diaminium
2'-N-acetylparomamine(2+)

kegg.compound:C17582
keggC:C17582
ARLIVUJSSKFVPL-JPYLPOILSA-N 		2'-N-Acetylparomamine

seed.compound:cpd17703
seedM:cpd17703
ARLIVUJSSKFVPL-JPYLPOILSA-P 		2'-N-Acetylparomamine
2'-N-acetylparomamine

metacyc.compound:CPD-14126
metacycM:CPD-14126
ARLIVUJSSKFVPL-JPYLPOILSA-P 		2'-N-acetylparomamine

CHEBI:65018
chebi:65018
ARLIVUJSSKFVPL-JPYLPOILSA-N 		2'-N-acetylparomamine
(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside

keggC:M_C17582
seedM:M_cpd17703 		secondary/obsolete/fantasy identifier