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3-hydroxy-heptanoyl-CoA

MNXM147785 is deprecated and here replaced by MNXM1101959
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1101959Image of MNXM1101959
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
formulaC28H44N7O18P3S
charge-4
mass891.16983
referencemetacycM:CPD-15659
InChIKeyVISQBWUSDZWVMM-FPVIQYCMSA-J
InChIInChI=1S/C28H48N7O18P3S/c1-4-5-6-16(36)11-19(38)57-10-9-30-18(37)7-8-31-26(41)23(40)28(2,3)13-50-56(47,48)53-55(45,46)49-12-17-22(52-54(42,43)44)21(39)27(51-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,36,39-40H,4-13H2,1-3H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t16?,17-,21-,22-,23+,27-/m1/s1
SMILESCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-15659
metacycM:CPD-15659
seed.compound:cpd31746
seedM:cpd31746 		3-hydroxy-heptanoyl-CoA
bigg.metabolite:M00782
biggM:M00782 		3-Hydroxyheptanoyl Coenzyme A
biggM:M_M00782
seedM:M_cpd31746 		secondary/obsolete/fantasy identifier