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APC

PropertiesImage
MNX_IDMNXM10722 Image of MNXM10722
referencechebi:80551
formulaC33H38N4O8
global charge0
mol weight618.687
InChIKeyBSVVZICJFYZDJJ-XIFFEERXSA-N
InChIInChI=1S/C33H38N4O8/c1-3-21-22-15-20(45-32(42)36-13-10-19(11-14-36)34-12-6-5-7-28(38)39)8-9-26(22)35-29-23(21)17-37-27(29)16-25-24(30(37)40)18-44-31(41)33(25,43)4-2/h8-9,15-16,19,34,43H,3-7,10-14,17-18H2,1-2H3,(H,38,39)/t33-/m0/s1
SMILESCCC1=C2CN3C(=O)C4=C(C=C3C2=NC2=CC=C(OC(=O)N3CCC(NCCCCC(=O)O)CC3)C=C21)[C@@](O)(CC)C(=O)OC4
MNX internals
InChI (mnx)InChI=1/C33H38N4O8/c1-3-21-22-15-20(45-32(42)36-13-10-19(11-14-36)34-12-6-5-7-28(38)39)8-9-26(22)35-29-23(21)17-37-27(29)16-25-24(30(37)40)18-44-31(41)33(25,43)4-2/h8-9,15-16,19,34,43H,3-7,10-14,17-18H2,1-2H3,(H,38,39)/t33-/m0/s1 Image of MNXM10722
SMILES (mnx)[CH3:1][CH2:3][C:21]1=[C:23]2[CH2:17][N:37]3[C:27](=[CH:16][C:25]4=[C:24]([CH2:18][O:44][C:31](=[O:41])[C@@:33]4([CH2:4][CH3:2])[OH:43])[C:30]3=[O:40])[C:29]2=[N:35][C:26]2=[C:22]1[CH:15]=[C:20]([O:45][C:32]([N:36]1[CH2:13][CH2:10][CH:19]([NH:34][CH2:12][CH2:6][CH2:5][CH2:7][C:28](=[O:38])[OH:39])[CH2:11][CH2:14]1)=[O:42])[CH:8]=[CH:9]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd16356
seedM:cpd16356
CHEBI:80551
chebi:80551
kegg.compound:C16542
keggC:C16542
BSVVZICJFYZDJJ-XIFFEERXSA-N 		APC
hmdb:HMDB0060661
BSVVZICJFYZDJJ-XIFFEERXSA-N 		APC
1,2-Propanedione
1-Ketopropionaldehyde
2-Keto propionaldehyde
2-Ketopropionaldehyde
2-Oxopropanal
2-Oxopropionaldehyde
2-oxo-Propionaldehyde
5-{[1-({[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl]oxy}carbonyl)piperidin-4-yl]amino}pentanoic acid
7-Ethyl-10-(4-N-(5-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin
APC CPD
Acetylformaldehyde
Acetylformyl
Aldehyde, pyruvic
CH3COCHO
Ketopropionaldehyde
Methylglyoxal
Oxopropanal
Propanedione
Propanolone
Pyroracemic aldehyde
Pyruvic aldehyde
a-Ketopropionaldehyde
alpha-Ketopropionaldehyde
alpha-ketopropionaldehyde

hmdb:HMDB60661
keggC:M_C16542
seedM:M_cpd16356 		secondary/obsolete/fantasy identifier