Difference between revisions of "CPD1F-130"

Revision as of 11:14, 15 January 2021

common-name:
- (s)-3-hydroxyhexadecanoyl-coa
smiles:
- cccccccccccccc(cc(sccnc(ccnc(c(c(cop(=o)([o-])op(occ1(oc(c(c1op([o-])([o-])=o)o)n3(c=nc2(c(=nc=nc=23)n))))([o-])=o)(c)c)o)=o)=o)=o)o
inchi-key:
- dehlmtddpwdrdr-qqojfmbssa-j
molecular-weight:
- 1017.914

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE ==
+== Metabolite CPD0-2232 ==
 * common-name:
-** (2r,3s)-3-isopropylmalate
+** (s)-3-hydroxyhexadecanoyl-coa
 * smiles:
-** cc(c)c(c([o-])=o)c(c([o-])=o)o
+** cccccccccccccc(cc(sccnc(ccnc(c(c(cop(=o)([o-])op(occ1(oc(c(c1op([o-])([o-])=o)o)n3(c=nc2(c(=nc=nc=23)n))))([o-])=o)(c)c)o)=o)=o)=o)o
 * inchi-key:
-** rnqhmtfbussbjq-crclsjgqsa-l
+** dehlmtddpwdrdr-qqojfmbssa-j
 * molecular-weight:
-** 174.153
+** 1017.914
 == Reaction(s) known to consume the compound ==
-* [[3-ISOPROPYLMALDEHYDROG-RXN]]
+* [[ECOAH7h]]
-* [[IMDH]]
+* [[HACD7h]]
-* [[IMDHT_LPAREN_3c2hmp_RPAREN_]]
+* [[RXN-14271]]
-* [[RXN-13158]]
-* [[RXN-13163]]
-* [[RXN-8991]]
 == Reaction(s) known to produce the compound ==
-* [[3-ISOPROPYLMALDEHYDROG-RXN]]
+* [[ECOAH7h]]
-* [[IMDHT_LPAREN_3c2hmp_RPAREN_]]
+* [[HACD7h]]
-* [[RXN-13163]]
+* [[RXN-14271]]
-* [[RXN-8991]]
+* [[RXN-14272]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2r,3s)-3-isopropylmalate}}
+{{#set: common-name=(s)-3-hydroxyhexadecanoyl-coa}}
-{{#set: inchi-key=inchikey=rnqhmtfbussbjq-crclsjgqsa-l}}
+{{#set: inchi-key=inchikey=dehlmtddpwdrdr-qqojfmbssa-j}}
-{{#set: molecular-weight=174.153}}
+{{#set: molecular-weight=1017.914}}