Search MNXref
 Feedback

O-[S-3-oxo-(17Z,29Z-octatetracontadienoylpantetheine)-4'-phosphoryl]-L-serine residue

PropertiesImage
MNX_IDMNXM11031 Image of MNXM11031
referencechebi:87906
formulaC62H113N3O10PS*2
global charge-1
mol weight 
InChIKey 
InChI 
SMILES[*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O
MNX internals
InChI (mnx)InChI=1/C64H120N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-58(69)54-61(71)79-53-52-66-60(70)50-51-67-63(73)62(72)64(3,4)56-77-78(74,75)76-55-59(65-5)57(2)68/h23-24,35-36,59,62,65,72H,6-22,25-34,37-56H2,1-5H3,(H,66,70)(H,67,73)(H,74,75)/b24-23-,36-35-/t59-,62-/m0/s1/i2+1,5+1 Image of MNXM11031
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]/[CH:35]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][C:58]([CH2:54][C:61](=[O:71])[S:79][CH2:53][CH2:52][N:66]=[C:60]([CH2:50][CH2:51][N:67]=[C:63]([C@@H:62]([C:64]([CH3:3])([CH3:4])[CH2:56][O:77][P:78]([OH:74])(=[O:75])[O:76][CH2:55][C@@H:59]([C:57]([13CH3:2])=[O:68])[NH:65][13CH3:5])[OH:72])[OH:73])[OH:70])=[O:69]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87906
chebi:87906
O-[S-3-oxo-(17Z,29Z-octatetracontadienoylpantetheine)-4'-phosphoryl]-L-serine residue
3-oxo-(17Z,29Z-C48:2-phosphopantetheine)-L-serine(1-) residue
O-{S-[(17Z,29Z)-3-oxooctatetracontadienoylpantetheine]-4'-phosphoryl}-L-serine(1-) residue

metacyc.compound:cis-cis-D17-29-3-oxo-C48-2-ACPs
metacycM:cis-cis-D17-29-3-oxo-C48-2-ACPs
a cis,cis-delta17,29-3-oxo-C48:2-[acp]

seed.compound:cpd28408
seedM:cpd28408
a cis,cis-delta17,29-3-oxo-C48:2-[acp]
cis-cis-D17-29-3-oxo-C48-2-ACPs

seedM:M_cpd28408
secondary/obsolete/fantasy identifier