Feedback

9-O-adenylylspectinomycin

MNXM9930 is deprecated and here replaced by MNXM1105069
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105069

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₄H₃₆N₇O₁₃P

charge

mass

661.21087

reference

chebi:146261

InChIKey

YWELMMKQVLJFMW-QEYXCPIGSA-N

InChI

InChI=1S/C24H36N7O13P/c1-8-4-10(32)24(36)23(40-8)42-19-17(43-24)11(26-2)15(34)12(27-3)18(19)44-45(37,38)39-5-9-14(33)16(35)22(41-9)31-7-30-13-20(25)28-6-29-21(13)31/h6-9,11-12,14-19,22-23,26-27,33-36H,4-5H2,1-3H3,(H,37,38)(H2,25,28,29)/t8-,9-,11+,12-,14-,15-,16-,17-,18+,19+,22-,23+,24+/m1/s1

SMILES

CN[C@@H]1[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]([NH2+]C)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:146261 chebi:146261	9-O-adenylylspectinomycin 9-O-adenylylspectinomycin zwitterion
kegg.compound:C03580 keggC:C03580	3''-Adenylylspectinomycin
seed.compound:cpd02250 seedM:cpd02250	3''-Adenylylspectinomycin 3AStrmyn
CHEBI:138848 chebi:138848	5'-O-[{[(2R,4aR,5aR,6S,7R,8R,9S,9aS,10aS)-4a,7-dihydroxy-2-methyl-6,8-bis(methylamino)-4-oxodecahydro-2N-pyrano[2,3-b][1,4]benzodioxin-9-yl]oxy}(hydroxy)phosphoryl]adenosine 3''-Adenylylspectinomycin
keggC:M_C03580 seedM:M_cpd02250	secondary/obsolete/fantasy identifier