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hexadecanedioyl-CoA

MNXM114515 is deprecated and here replaced by MNXM1101299
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1101299 Image of MNXM1101299
referencechebi:77085
formulaC37H59N7O19P3S
global charge-5
mol weight1030.898
InChIKeyGTCSHNMTNCXODY-CCAJQFMUSA-I
InChIInChI=1S/C37H64N7O19P3S/c1-37(2,32(50)35(51)40-18-17-26(45)39-19-20-67-28(48)16-14-12-10-8-6-4-3-5-7-9-11-13-15-27(46)47)22-60-66(57,58)63-65(55,56)59-21-25-31(62-64(52,53)54)30(49)36(61-25)44-24-43-29-33(38)41-23-42-34(29)44/h23-25,30-32,36,49-50H,3-22H2,1-2H3,(H,39,45)(H,40,51)(H,46,47)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/p-5/t25-,30-,31-,32+,36-/m1/s1
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C37H64N7O19P3S/c1-37(2,32(50)35(51)40-18-17-26(45)39-19-20-67-28(48)16-14-12-10-8-6-4-3-5-7-9-11-13-15-27(46)47)22-60-66(57,58)63-65(55,56)59-21-25-31(62-64(52,53)54)30(49)36(61-25)44-24-43-29-33(38)41-23-42-34(29)44/h23-25,30-32,36,49-50H,3-22H2,1-2H3,(H,39,45)(H,40,51)(H,46,47)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/t25-,30-,31-,32+,36-/m1/s1 Image of MNXM1101299
SMILES (mnx)[CH3:1][C:37]([CH3:2])([CH2:22][O:60][P:66]([OH:57])(=[O:58])[O:63][P:65]([OH:55])(=[O:56])[O:59][CH2:21][C@@H:25]1[C@@H:31]([O:62][P:64]([OH:52])([OH:53])=[O:54])[C@@H:30]([OH:49])[C@H:36]([N:44]2[CH:24]=[N:43][C:29]3=[C:33]([NH2:38])[N:41]=[CH:23][N:42]=[C:34]32)[O:61]1)[C@H:32]([C:35](=[N:40][CH2:18][CH2:17][C:26](=[N:39][CH2:19][CH2:20][S:67][C:28]([CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][C:27](=[O:46])[OH:47])=[O:48])[OH:45])[OH:51])[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77085
chebi:77085
GTCSHNMTNCXODY-CCAJQFMUSA-I 		hexadecanedioyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[15-carboxylatopentadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
DC16:0- CoA(5-)
hexadecanedioyl-CoA(5-)
hexadecanedioyl-coenzyme A(5-)

seed.compound:cpd32101
seedM:cpd32101
GTCSHNMTNCXODY-CCAJQFMUSA-I 		16-carboxy-hexadecanoyl-CoA
16-carboxy-palmitoyl-CoA
C16:0-DCA-CoA
hexadecanedioic acid-CoA
hexadecanedioyl coenzyme A
hexadecanedioyl-CoA

bigg.metabolite:hexdicoa
biggM:hexdicoa
GTCSHNMTNCXODY-CCAJQFMUSA-I 		Hexadecanedioyl Coenzyme A

SLM:000389605
slm:000389605
GTCSHNMTNCXODY-CCAJQFMUSA-I 		Hexadecanedioyl-CoA

metacyc.compound:CPD-14772
metacycM:CPD-14772
GTCSHNMTNCXODY-CCAJQFMUSA-I 		hexadecanedioyl-CoA
16-carboxy-hexadecanoyl-CoA
16-carboxy-palmitoyl-CoA
C16:0-DCA-CoA
hexadecanedioic acid-CoA
hexadecanedioyl coenzyme A

CHEBI:77208
chebi:77208
GTCSHNMTNCXODY-CCAJQFMUSA-N 		hexadecanedioyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[15-carboxypentadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
hexadecanedioyl-coenzyme A

vmhM:hexdicoa
vmhmetabolite:hexdicoa
GTCSHNMTNCXODY-UHFFFAOYSA-I 		hexadecanedioylcoa

biggM:M_hexdicoa
seedM:M_cpd32101
vmhM:M_hexdicoa 		secondary/obsolete/fantasy identifier