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doripenem

PropertiesImage
MNX_IDMNXM731334 Image of MNXM731334
referencechebi:135928
formulaC15H24N4O6S2
global charge0
mol weight420.513
InChIKeyAVAACINZEOAHHE-VFZPANTDSA-N
InChIInChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
SMILESC[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12
MNX internals
InChI (mnx)InChI=1/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 Image of MNXM731334
SMILES (mnx)[CH3:1][C@@H:6]1[C@@H:11]2[C@@H:10]([C@@H:7]([CH3:2])[OH:20])[C:14](=[O:21])[N:19]2[C:12]([C:15](=[O:22])[OH:23])=[C:13]1[S:26][C@H:9]1[CH2:3][C@@H:8]([CH2:4][NH:18][S:27]([NH2:16])(=[O:24])=[O:25])[NH:17][CH2:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:135928
chebi:135928
AVAACINZEOAHHE-VFZPANTDSA-N 		doripenem
doribax
doripenem hydrate

sabiork.compound:27112
sabiorkM:27112
AVAACINZEOAHHE-VFZPANTDSA-N 		Doripenem

kegg.drug:D03895
keggD:D03895
AVAACINZEOAHHE-VFZPANTDSA-N 		Doripenem (USAN/INN)
hmdb:HMDB0041883
AVAACINZEOAHHE-VFZPANTDSA-N 		Doripenem
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl}-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
2-(5-Sulfamoylaminomethylpyrrolidin-3-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapen-2-em-3-carboxylic acid
Doribax
Doripenem hydrate
doripenem

metacyc.compound:CPD0-2600
metacycM:CPD0-2600
seed.compound:cpd32931
seedM:cpd32931
AVAACINZEOAHHE-VFZPANTDSA-N 		doripenem

hmdb:HMDB41883
keggD:M_D03895
seedM:M_cpd32931 		secondary/obsolete/fantasy identifier