3'-N-debenzoyltaxol

Properties MNX_ID MNXM3067 formula C40H48NO13 charge 1 mass 750.80806 reference chebi:63863

InChIKey	DLACRDONFBNRSP-KWIOUIIFSA-O
InChI	InChI=1S/C40H47NO13/c1-20-25(52-36(48)30(45)29(41)23-13-9-7-10-14-23)18-40(49)34(53-35(47)24-15-11-8-12-16-24)32-38(6,26(44)17-27-39(32,19-50-27)54-22(3)43)33(46)31(51-21(2)42)28(20)37(40,4)5/h7-16,25-27,29-32,34,44-45,49H,17-19,41H2,1-6H3/p+1/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1
SMILES	CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H]([NH3+])c1ccccc1

Occurences in reactions

	#reac
Distinct reactions in my sandbox	0
Distinct generic reactions in MNXref	8
Distinct compatimentalized reactions in models	0

Similar chemical compounds in external resources

Identifier	Description
metacycM:CPD-9203	N-debenzoyl-(3'-RS)-taxol 13-O-3-phenylisoserinoyl baccatin III 3'-N-debenzoyl-taxol 3'-N-debenzoyltaxol
keggC:C16524	3'-N-Debenzoyltaxol 13-O-3-Phenylisoserinoyl baccatin III
chebi:63863	3'-N-debenzoyltaxol 3'-N-debenzoyltaxol(1+)
chebi:63862	3'-N-debenzoyltaxol (2alpha,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-13-{[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate 13-O-3-Phenylisoserinoyl baccatin III 13-O-3-phenylisoserinoyl baccatin III 3'-N-debenzoylpaclitaxel 3'-debenzoylpaclitaxel N-debenzoylpaclitaxel N-debenzoyltaxol
keggC:M_C16524 seedM:M_cpd16339	secondary/obsolete/fantasy identifier
seedM:cpd16339	3'-N-Debenzoyltaxol 13-O-3-Phenylisoserinoyl baccatin III 13-O-3-phenylisoserinoyl baccatin III 3'-N-debenzoyl-taxol 3'-N-debenzoyltaxol N-debenzoyl-(3'-RS)-taxol
MNXM35947	is deprecated and replaced by this entry