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

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camptothecin

	Properties	Image
MNX_ID	MNXM8363
reference	chebi:27656
formula	C₂₀H₁₆N₂O₄
global charge	0
mol weight	348.358
InChIKey	VSJKWCGYPAHWDS-FQEVSTJZSA-N
InChI	InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
SMILES	CC[C@@]1(O)C(=O)OCC2=C1C=C1C3=NC4=C(C=CC=C4)C=C3CN1C2=O

MNX internals

InChI (mnx)	InChI=1/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
SMILES (mnx)	[CH3:1][CH2:2][C@:20]1([OH:25])[C:14]2=[C:13]([CH2:10][O:26][C:19]1=[O:24])[C:18](=[O:23])[N:22]1[CH2:9][C:12]3=[CH:7][C:11]4=[CH:5][CH:3]=[CH:4][CH:6]=[C:15]4[N:21]=[C:17]3[C:16]1=[CH:8]2

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:27656 chebi:27656 VSJKWCGYPAHWDS-FQEVSTJZSA-N	camptothecin (+)-camptothecin (+)-camptothecine (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione (S)-(+)-camptothecin 20(S)-camptothecine 21,22-Secocamptothecin-21-oic acid lactone CPT Camptothecin Camptothecine D-camptothecin
kegg.compound:C01897 keggC:C01897 VSJKWCGYPAHWDS-FQEVSTJZSA-N	Camptothecin
seed.compound:cpd01304 seedM:cpd01304 VSJKWCGYPAHWDS-FQEVSTJZSA-N	Camptothecin (+)-camptothecine (S)-camptothecine (s)-camptothecine D-camptothecine camptothecin camptothecine d-camptothecine
metacyc.compound:CPD-11776 metacycM:CPD-11776 VSJKWCGYPAHWDS-FQEVSTJZSA-N	camptothecin (+)-camptothecine (S)-camptothecine D-camptothecine camptothecine
chebi:22997 chebi:3343 keggC:M_C01897 seedM:M_cpd01304	secondary/obsolete/fantasy identifier