MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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ticarcillin

	Properties	Image
MNX_ID	MNXM161626
reference	chebi:9587
formula	C₁₅H₁₆N₂O₆S₂
global charge	0
mol weight	384.435
InChIKey	OHKOGUYZJXTSFX-KZFFXBSXSA-N
InChI	InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1
SMILES	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)C3=CSC=C3)C(=O)N2[C@H]1C(=O)O

MNX internals

InChI (mnx)	InChI=1/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1
SMILES (mnx)	[CH3:1][C:15]1([CH3:2])[C@H:9]([C:14](=[O:22])[OH:23])[N:17]2[C:11](=[O:19])[C@@H:8]([N:16]=[C:10]([C@@H:7]([C:6]3=[CH:5][S:24][CH:4]=[CH:3]3)[C:13](=[O:20])[OH:21])[OH:18])[C@H:12]2[S:25]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
Identifier	Description
CHEBI:9587 chebi:9587 OHKOGUYZJXTSFX-KZFFXBSXSA-N	ticarcillin (2S,5R,6R)-6-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6beta-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylic acid alpha-carboxy-3-thienylmethylpenicillin ticarcilina ticarcilline ticarcillinum
seed.compound:cpd04401 seedM:cpd04401 sabiork.compound:24746 sabiorkM:24746 kegg.compound:C07139 keggC:C07139 OHKOGUYZJXTSFX-KZFFXBSXSA-L OHKOGUYZJXTSFX-KZFFXBSXSA-N	Ticarcillin
kegg.drug:D08593 keggD:D08593 OHKOGUYZJXTSFX-KZFFXBSXSA-N	Ticarcillin (INN) Ticillin [veterinary] (TN)
hmdb:HMDB0015545 OHKOGUYZJXTSFX-KZFFXBSXSA-N	Ticarcillin (2S,5R,6R)-6-[(2R)-2-carboxy-2-(thiophen-3-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (2S,5R,6R)-6-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CSL Brand OF ticarcillin disodium Disodium, ticarcillin GlaxoSmithKline brand OF ticarcillin disodium GlaxoSmithKline brand OF ticarcillin disodium salt SmithKline beecham brand OF ticarcillin disodium SmithKline beecham brand OF ticarcillin disodium salt TIPC Tarcil Ticar Ticarcilina Ticarcillin disodium Ticarcillin supplement Ticarcilline Ticarcillinum Ticarpen Ticillin a-Carboxy-3-thienylmethylpenicillin alpha-Carboxy-3-thienylmethylpenicillin alpha-carboxy-3-thienylmethylpenicillin ticarcillin
CHEBI:51811 chebi:51811 OHKOGUYZJXTSFX-KZFFXBSXSA-L	ticarcillin(2-) (2S,5R,6R)-6-{[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 6beta-{[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylate
hmdb:HMDB15545 keggC:M_C07139 keggD:M_D08593 seedM:M_cpd04401	secondary/obsolete/fantasy identifier