COMPOUND: C18178
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Entry
C18178 Compound
Name
Resolvin D1;
7S,8R,17S-Trihydroxydocosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid
Formula
C22H32O5
Exact mass
376.2250
Mol weight
376.49
Structure
Mol file
KCF file
DB search
Pathway
map04148
Efferocytosis
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA04 Docosanoids
FA0403 Resolvin Ds
C18178 Resolvin D1
BRITE hierarchy
Other DBs
PubChem:
96024394
ChEBI:
81564
LIPIDMAPS:
LMFA04030011
NIKKAJI:
J2.417.899D
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All DBs
KCF data
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ATOM 27
1 C2b C 30.1254 -14.2856
2 C1b C 31.3165 -14.9863
3 C1b C 32.5076 -14.2856
4 C6a C 33.6988 -14.9863
5 O6a O 34.9599 -14.2856
6 O6a O 33.6988 -16.3876
7 C2b C 28.7241 -14.2856
8 C1c C 26.2719 -14.2856
9 C1b C 27.5330 -14.9863
10 C1c C 24.8706 -14.2856
11 C2b C 18.7749 -14.9863
12 C2b C 19.9660 -14.2856
13 C2b C 21.2272 -14.9863
14 C2b C 22.4183 -14.2856
15 C2b C 23.6094 -14.9863
16 O1a O 26.6222 -12.9544
17 O1a O 24.5202 -12.9544
18 C2b C 18.7749 -16.3876
19 C2b C 20.0361 -17.0882
20 C2b C 21.2272 -16.3876
21 C1c C 22.4183 -17.0882
22 C1b C 23.6795 -16.3876
23 C2b C 24.8706 -17.0882
24 C2b C 26.2719 -17.0882
25 C1b C 27.4630 -16.3876
26 C1a C 28.6541 -17.0882
27 O1a O 22.4183 -18.4895
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 6 2
6 1 7 2
7 8 9 1
8 9 7 1
9 8 10 1
10 11 12 1
11 12 13 2
12 13 14 1
13 14 15 2
14 15 10 1
15 8 16 1 #Up
16 10 17 1 #Up
17 11 18 2
18 18 19 1
19 19 20 2
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 2
24 24 25 1
25 25 26 1
26 21 27 1 #Down
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