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cephamycin C

PropertiesImage
MNX_IDMNXM8386 Image of MNXM8386
referencechebi:3543
formulaC16H22N4O9S
global charge0
mol weight446.438
InChIKeyLXWBXEWUSAABOA-VXSYNFHWSA-N
InChIInChI=1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/t8-,14-,16+/m1/s1
SMILESCO[C@@]1(NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21
MNX internals
InChI (mnx)InChI=1/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/t8-,14-,16+/m1/s1 Image of MNXM8386
SMILES (mnx)[CH3:1][O:28][C@@:16]1([N:19]=[C:9]([CH2:4][CH2:2][CH2:3][C@H:8]([C:11](=[O:22])[OH:23])[NH2:17])[OH:21])[C:13](=[O:26])[N:20]2[C:10]([C:12](=[O:24])[OH:25])=[C:7]([CH2:5][O:29][C:15](=[NH:18])[OH:27])[CH2:6][S:30][C@H:14]12
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:3543
chebi:3543
LXWBXEWUSAABOA-VXSYNFHWSA-N 		cephamycin C
(6R,7S)-3-[[(aminocarbonyl)oxy]methyl]-7alpha-[[(R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(5R)-5-amino-5-carboxypentanamido]-3,4-didehydrocepham-4-carboxylic acid
7-[(5-amino-5-carboxypentanoyl)amino]-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
A 16886B
A-16886B
A16886B
Cephamycin C
antibiotic 842A
antibiotic A-16886B
antibiotic A-16886I
antibiotic WS-3442C
cephemimycin

kegg.compound:C06566
keggC:C06566
LXWBXEWUSAABOA-VXSYNFHWSA-N 		Cephamycin C

seed.compound:cpd03974
seedM:cpd03974
LXWBXEWUSAABOA-VXSYNFHWSA-M 		Cephamycin C
cephamycin C

metacyc.compound:CPD-9123
metacycM:CPD-9123
LXWBXEWUSAABOA-VXSYNFHWSA-M 		cephamycin C

keggC:M_C06566
seedM:M_cpd03974 		secondary/obsolete/fantasy identifier