Difference between revisions of "CPD-332"

Revision as of 14:57, 5 January 2021

common-name:
- (s)-3-hydroxyhexanoyl-coa
smiles:
- cccc(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:
- vaahkrmgofiorx-dwufxmdisa-j
molecular-weight:
- 877.646

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CHOLANATE2 ==
+== Metabolite OH-HEXANOYL-COA ==
 * common-name:
-** 3&alpha;,12&alpha;-dihydroxy-7-oxo-5&beta;-cholan-24-oate
+** (s)-3-hydroxyhexanoyl-coa
 * smiles:
-** cc([ch]3(cc[ch]4([ch]2(c(=o)c[ch]1(cc(o)ccc(c)1[ch]2cc(o)c(c)34)))))ccc(=o)[o-]
+** cccc(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:
-** rhcpkknrwfxmat-rrwykfpjsa-m
+** vaahkrmgofiorx-dwufxmdisa-j
 * molecular-weight:
-** 405.553
+** 877.646
 == Reaction(s) known to consume the compound ==
+* [[ECOAH2h]]
+* [[HACD2h]]
+* [[RXN-12567]]
 == Reaction(s) known to produce the compound ==
-* [[7-ALPHA-HYDROXYSTEROID-DEH-RXN]]
+* [[ECOAH2h]]
+* [[HACD2h]]
+* [[RXN-12570]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3&alpha;,12&alpha;-dihydroxy-7-oxo-5&beta;-cholan-24-oate}}
+{{#set: common-name=(s)-3-hydroxyhexanoyl-coa}}
-{{#set: inchi-key=inchikey=rhcpkknrwfxmat-rrwykfpjsa-m}}
+{{#set: inchi-key=inchikey=vaahkrmgofiorx-dwufxmdisa-j}}
-{{#set: molecular-weight=405.553}}
+{{#set: molecular-weight=877.646}}