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cephamycin C

Properties

Image

Occurences in reactions

MNX_ID

MNXM8386

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₆H₂₂N₄O₉S

charge

mass

446.11075

reference

chebi:3543

InChIKey

LXWBXEWUSAABOA-VXSYNFHWSA-N

InChI

InChI=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

SMILES

CO[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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3543 chebi:3543	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	Cephamycin C
seed.compound:cpd03974 seedM:cpd03974	Cephamycin C cephamycin C
metacyc.compound:CPD-9123 metacycM:CPD-9123	cephamycin C
keggC:M_C06566 seedM:M_cpd03974	secondary/obsolete/fantasy identifier