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

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biotin

	Properties	Image
MNX_ID	MNXM304
reference	chebi:57586
formula	C₁₀H₁₅N₂O₃S
global charge	-1
mol weight	243.308
InChIKey	YBJHBAHKTGYVGT-ZKWXMUAHSA-M
InChI	InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/p-1/t6-,7-,9-/m0/s1
SMILES	O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

MNX internals

InChI (mnx)	InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
SMILES (mnx)	[CH2:1]([CH2:2][CH2:4][C:8](=[O:13])[OH:14])[CH2:3][C@H:7]1[C@@H:9]2[C@H:6]([CH2:5][S:16]1)[N:11]=[C:10]([OH:15])[NH:12]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	67
in models (compartimentalized)	51

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57586 chebi:57586 YBJHBAHKTGYVGT-ZKWXMUAHSA-M	biotin 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate biotin anion biotinate
seed.compound:cpd00104 seedM:cpd00104 YBJHBAHKTGYVGT-ZKWXMUAHSA-M	BIOT Biotin Coenzyme R D-Biotin Vitamin H biotin btn coenzyme R d-biotin vitamin H
bigg.metabolite:btn biggM:btn YBJHBAHKTGYVGT-ZKWXMUAHSA-M	Biotin
kegg.drug:D00029 keggD:D00029 YBJHBAHKTGYVGT-ZKWXMUAHSA-N	Biotin (JP18/USP/INN) Bioepiderm (TN)
hmdb:HMDB0000030 YBJHBAHKTGYVGT-ZKWXMUAHSA-N	Biotin (+)-Biotin (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valerate (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid (3AS,4S,6ar)-hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-valerate (3AS,4S,6ar)-hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-valeric acid -(+)-Biotin 1SWK 1SWN 1SWR 5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoate 5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoic acid 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid 5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid Biocur brand OF biotin Biodermatin Bioepiderm Biokur Bios H Bios II Biotin biocur brand Biotin dermapharm brand Biotin gelfert Biotin hermes Biotin hermes brand Biotin medopharm brand Biotin ratiopharm Biotin ratiopharm brand Biotin roche brand Biotin simons brand Biotin strathmann brand Biotin ziethen brand Biotin-ratiopharm Biotina Biotine Biotine roche Biotinratiopharm Biotinum Coenzyme R D(+)-Biotin D-(+)-Biotin D-Biotin D-Biotin factor S Deacura Dermapharm brand OF biotin E+b pharma brand OF biotin Factor S Factor S (vitamin) Gabunat Gelfert, biotin H, Vitamin Hermes brand OF biotin Hermes, biotin Hexahydro-2-oxo-1H-thieno(3,4-D)imidazole-4-pentanoate Hexahydro-2-oxo-1H-thieno(3,4-D)imidazole-4-pentanoic acid Hexahydro-2-oxo-[3as-(3aa,4b,6aa)]-1H-thieno[3,4-D]imidazole-4-pentanoate Hexahydro-2-oxo-[3as-(3aa,4b,6aa)]-1H-thieno[3,4-D]imidazole-4-pentanoic acid Hexahydro-2-oxo-[3as-(3alpha,4beta,6alpha)]-1H-thieno[3,4-D]imidazole-4-pentanoate Hexahydro-2-oxo-[3as-(3alpha,4beta,6alpha)]-1H-thieno[3,4-D]imidazole-4-pentanoic acid Lutavit H2 Medea brand OF biotin sodium salt Medebiotin Medobiotin Medopharm brand OF biotin Meribin Ratiopharm brand OF biotin Roche brand OF biotin Roche, biotine Rombellin Rovimix H 2 Simons brand OF biotin Strathmann brand OF biotin Vitamin H Vitamin b7 Vitamin-H Ziethen brand OF biotin cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valerate cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valerate cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid cis-Tetrahydro-2-oxothieno(3,4-D)imidazoline-4-valerate cis-Tetrahydro-2-oxothieno(3,4-D)imidazoline-4-valeric acid delta-(+)-Biotin delta-Biotin delta-Biotin factor S
vmhM:btn vmhmetabolite:btn YBJHBAHKTGYVGT-ZKWXMUAHSA-M	Biotin 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
sabiork.compound:1936 sabiorkM:1936 kegg.compound:C00120 keggC:C00120 YBJHBAHKTGYVGT-ZKWXMUAHSA-N	Biotin Coenzyme R D-Biotin Vitamin H
reactome:R-ALL-199207 reactomeM:R-ALL-199207 reactome:R-ALL-199238 reactomeM:R-ALL-199238 reactome:R-ALL-29582 reactomeM:R-ALL-29582 CHEBI:15956 chebi:15956 YBJHBAHKTGYVGT-ZKWXMUAHSA-N	biotin (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid BIOTIN Coenzyme R D-(+)-biotin D-Biotin Vitamin H biotina biotine biotinum cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid vitamin B7
metacyc.compound:BIOTIN metacycM:BIOTIN YBJHBAHKTGYVGT-ZKWXMUAHSA-M	biotin 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate D-biotin coenzyme R vitamin B7 vitamin H
CHEBI:183052 chebi:183052 YBJHBAHKTGYVGT-ZKWXMUAHSA-N	d2-biotin 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2,2-dideuteriopentanoic acid
hmdb:HMDB00030 chebi:13905 chebi:22882 chebi:22884 chebi:3108 chebi:41236 biggM:M_btn keggC:M_C00120 keggD:M_D00029 seedM:M_cpd00104 vmhM:M_btn	secondary/obsolete/fantasy identifier