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

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fusidate

	Properties	Image
MNX_ID	MNXM1106689
reference	chebi:71321
formula	C₃₁H₄₇O₆
global charge	-1
mol weight	515.711
InChIKey	IECPWNUMDGFDKC-MZJAQBGESA-M
InChI	InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/p-1/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
SMILES	CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
SMILES (mnx)	[CH3:1][C:17]([CH3:2])=[CH:9][CH2:8][CH2:10]/[C:20](=[C:26]1\[C@@H:22]2[CH2:15][C@@H:24]([OH:34])[C@H:27]3[C@@:29]4([CH3:5])[CH2:13][CH2:12][C@@H:23]([OH:33])[C@@H:18]([CH3:3])[C@@H:21]4[CH2:11][CH2:14][C@:30]3([CH3:6])[C@@:31]2([CH3:7])[CH2:16][C@@H:25]1[O:37][C:19]([CH3:4])=[O:32])[C:28](=[O:35])[OH:36]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71321 chebi:71321 IECPWNUMDGFDKC-MZJAQBGESA-M	fusidate (2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoate fusidine ramycin
lipidmaps:LMPR0106040001 lipidmapsM:LMPR0106040001 IECPWNUMDGFDKC-MZJAQBGESA-N	(-)-Fusidic acid (-)-16beta-acetoxy-3alpha,11alpha-dihydroxyfusida-17(20)Z,24-diene-21-oic acid
hmdb:HMDB0015570 IECPWNUMDGFDKC-MZJAQBGESA-N	Fusidic Acid (-)-Fusidate 2-[(1S,2S,5R,6S,7S,10S,11S,13S,14Z,15R,17R)-13-(acetyloxy)-5,17-dihydroxy-2,6,10,11-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-ylidene]-6-methylhept-5-enoic acid Acid, fusidic Diethanolamine fusidate FA Fucidate Fucidic acid Fucidin acid Fucithalmic Fusidate Fusidate sodium Fusidate, silver Fusidate, sodium Fusidic acid Fusidic acid, sodium salt Fusidin Fusidine Ramycin Silver fusidate Sodium fusidate Sodium, fusidate Stanicide discoid
sabiork.compound:8852 sabiorkM:8852 kegg.compound:C06694 keggC:C06694 IECPWNUMDGFDKC-MZJAQBGESA-M IECPWNUMDGFDKC-MZJAQBGESA-N	Fusidic acid
kegg.drug:D04281 keggD:D04281 IECPWNUMDGFDKC-MZJAQBGESA-N	Fusidic acid (USAN/INN)
seed.compound:cpd04095 seedM:cpd04095 IECPWNUMDGFDKC-MZJAQBGESA-M	Fusidic acid fusidate fusidic acid fusidine ramycin
SLM:000598087 slm:000598087 IECPWNUMDGFDKC-MZJAQBGESA-M	fusidate
metacyc.compound:CPD0-1606 metacycM:CPD0-1606 IECPWNUMDGFDKC-MZJAQBGESA-M	fusidate fusidic acid fusidine ramycin
CHEBI:29013 chebi:29013 IECPWNUMDGFDKC-MZJAQBGESA-N	fusidic acid (2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoic acid Fucidin acid Fusidic acid Fusidine Ramycin fucidic acid
hmdb:HMDB15570 chebi:24133 chebi:42742 chebi:5201 keggC:M_C06694 keggD:M_D04281 seedM:M_cpd04095	secondary/obsolete/fantasy identifier