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cortisol phosphate(2-)

PropertiesImage
MNX_IDMNXM104056 Image of MNXM104056
referencechebi:68633
formulaC21H29O8P
global charge-2
mol weight440.429
InChIKeyBGSOJVFOEQLVMH-VWUMJDOOSA-L
InChIInChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/p-2/t14-,15-,16-,18+,19-,20-,21-/m0/s1
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1 Image of MNXM104056
SMILES (mnx)[CH3:1][C@:19]12[CH2:7][CH2:5][C:13](=[O:22])[CH:9]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:6][CH2:8][C@@:21]([C:17]([CH2:11][O:29][P:30]([OH:26])([OH:27])=[O:28])=[O:24])([OH:25])[C@@:20]3([CH3:2])[CH2:10][C@H:16]([OH:23])[C@@H:18]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68633
chebi:68633
BGSOJVFOEQLVMH-VWUMJDOOSA-L 		cortisol phosphate(2-)
(11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl phosphate
cortisol phosphate anion

CHEBI:188822
chebi:188822
BGSOJVFOEQLVMH-UHFFFAOYSA-N 		Corphos
[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] dihydrogen phosphate
hmdb:HMDB0253247
BGSOJVFOEQLVMH-UHFFFAOYSA-N 		Hydrocortisone phosphate
(2-{14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl}-2-oxoethoxy)phosphonic acid
2-{14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl}-2-oxoethoxyphosphonic acid
Cortisol 21-phosphate
Hydrocortisone 21-phosphate
Hydrocortisone sodium phosphate

CHEBI:91722
chebi:91722
BGSOJVFOEQLVMH-QVABZINDSA-N 		[2-[(11S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate

CHEBI:68634
chebi:68634
BGSOJVFOEQLVMH-VWUMJDOOSA-N 		cortisol phosphate
(11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl dihydrogen phosphate
Cortisol 21-phosphate
Cortisol phosphate
Hydrocortisone 21-phosphate