Difference between revisions of "DITP"

Latest revision as of 11:16, 18 March 2021

common-name:
- ditp
smiles:
- c(op(=o)([o-])op(=o)([o-])op(=o)([o-])[o-])c1(oc(cc(o)1)n3(c=nc2(c(=o)nc=nc=23)))
inchi-key:
- ufjpaqslhagebl-rrkcrqdmsa-j
molecular-weight:
- 488.137

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15684 ==
+== Metabolite DITP ==
 * common-name:
-** 5-cis, 7-trans-tetradecadienoyl-coa
+** ditp
 * smiles:
-** ccccccc=cc=ccccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
+** c(op(=o)([o-])op(=o)([o-])op(=o)([o-])[o-])c1(oc(cc(o)1)n3(c=nc2(c(=o)nc=nc=23)))
 * inchi-key:
-** amanzgdvbadzlh-qtjplklfsa-j
+** ufjpaqslhagebl-rrkcrqdmsa-j
 * molecular-weight:
-** 969.83
+** 488.137
 == Reaction(s) known to consume the compound ==
-* [[RXN-14796]]
+* [[RXN-14228]]
+* [[RXN0-1602]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-14228]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=5-cis, 7-trans-tetradecadienoyl-coa}}
+{{#set: common-name=ditp}}
-{{#set: inchi-key=inchikey=amanzgdvbadzlh-qtjplklfsa-j}}
+{{#set: inchi-key=inchikey=ufjpaqslhagebl-rrkcrqdmsa-j}}
-{{#set: molecular-weight=969.83}}
+{{#set: molecular-weight=488.137}}