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kinetensin

PropertiesImage
MNX_IDMNXM1105076 Image of MNXM1105076
referencechebi:147364
formulaC56H87N17O11
global charge2
mol weight1174.42
InChIKeyPANUJGMSOSQAAY-IHXGQVBNSA-P
InChIInChI=1S/C56H85N17O11/c1-6-32(4)45(57)52(81)66-33(5)46(75)67-38(15-10-22-63-55(58)59)47(76)68-39(16-11-23-64-56(60)61)48(77)71-42(28-36-29-62-30-65-36)53(82)73-24-12-17-44(73)51(80)70-41(27-35-18-20-37(74)21-19-35)49(78)69-40(26-34-13-8-7-9-14-34)50(79)72-43(54(83)84)25-31(2)3/h7-9,13-14,18-21,29-33,38-45,74H,6,10-12,15-17,22-28,57H2,1-5H3,(H,62,65)(H,66,81)(H,67,75)(H,68,76)(H,69,78)(H,70,80)(H,71,77)(H,72,79)(H,83,84)(H4,58,59,63)(H4,60,61,64)/p+2/t32-,33-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
SMILESCC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C56H85N17O11/c1-6-32(4)45(57)52(81)66-33(5)46(75)67-38(15-10-22-63-55(58)59)47(76)68-39(16-11-23-64-56(60)61)48(77)71-42(28-36-29-62-30-65-36)53(82)73-24-12-17-44(73)51(80)70-41(27-35-18-20-37(74)21-19-35)49(78)69-40(26-34-13-8-7-9-14-34)50(79)72-43(54(83)84)25-31(2)3/h7-9,13-14,18-21,29-33,38-45,74H,6,10-12,15-17,22-28,57H2,1-5H3,(H,62,65)(H,66,81)(H,67,75)(H,68,76)(H,69,78)(H,70,80)(H,71,77)(H,72,79)(H,83,84)(H4,58,59,63)(H4,60,61,64)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 Image of MNXM1105076
SMILES (mnx)[CH3:1][CH2:6][C@H:32]([CH3:4])[C@@H:45]([C:52](=[N:66][C@@H:33]([CH3:5])[C:46](=[N:67][C@@H:38]([CH2:15][CH2:10][CH2:22][NH:63][C:55](=[NH:58])[NH2:59])[C:47](=[N:68][C@@H:39]([CH2:16][CH2:11][CH2:23][NH:64][C:56](=[NH:60])[NH2:61])[C:48](=[N:71][C@@H:42]([CH2:28][C:36]1=[CH:29][N:62]=[CH:30][NH:65]1)[C:53]([N:73]1[CH2:24][CH2:12][CH2:17][C@H:44]1[C:51](=[N:70][C@@H:41]([CH2:27][C:35]1=[CH:19][CH:21]=[C:37]([OH:74])[CH:20]=[CH:18]1)[C:49](=[N:69][C@@H:40]([CH2:26][C:34]1=[CH:13][CH:8]=[CH:7][CH:9]=[CH:14]1)[C:50](=[N:72][C@@H:43]([CH2:25][CH:31]([CH3:2])[CH3:3])[C:54](=[O:83])[OH:84])[OH:79])[OH:78])[OH:80])=[O:82])[OH:77])[OH:76])[OH:75])[OH:81])[NH2:57]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:147364
chebi:147364
PANUJGMSOSQAAY-IHXGQVBNSA-P 		kinetensin
Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe-Leu(2+)
L-isoleucyl-L-alanyl-L-arginyl-L-arginyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanyl-L-leucine(2+)
N-[(2S,3S)-2-azaniumyl-3-methylpentanoyl]-L-alanyl-N(5)-[amino(iminio)methyl]-L-ornithyl-N(5)-[amino(iminio)methyl]-L-ornithyl-L-histidyl-L-prolyl-L-tyrosyl-N-[(1S)-1-carboxylato-3-methylbutyl]-L-phenylalaninamide
kinetensin(2+)

seed.compound:cpd14603
seedM:cpd14603
kegg.compound:C15872
keggC:C15872
PANUJGMSOSQAAY-IHXGQVBNSA-N 		Kinetensin
hmdb:HMDB0012988
PANUJGMSOSQAAY-IHXGQVBNSA-N 		Kinetensin
(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-methylpentanoic acid
(2S)-2-{[(2S)-2-{[(2S)-2-({[(2S)-1-[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S,3S)-2-amino-1-hydroxy-3-methylpentylidene]amino}-1-hydroxypropylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}-4-methylpentanoate
H-Ile-ala-arg-arg-his-pro-tyr-phe-leu-OH
I-a-R-R-H-p-y-F-L
IARRHPYFL
Ile-ala-arg-arg-his-pro-tyr-phe-leu
Kinetensin (human)
L-Ile-L-ala-L-arg-L-arg-L-his-L-pro-L-tyr-L-phe-L-leu
L-Isoleucyl-L-alanyl-L-arginyl-L-arginyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanyl-L-leucine

bigg.metabolite:CE5786
biggM:CE5786
PANUJGMSOSQAAY-IHXGQVBNSA-P 		Kinetensin
Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe-Leu

vmhM:CE5786
vmhmetabolite:CE5786
PANUJGMSOSQAAY-IHXGQVBNSA-N 		kinetensin

CHEBI:80144
chebi:80144
PANUJGMSOSQAAY-IHXGQVBNSA-N 		kinetensin
H-Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe-Leu-OH
I-A-R-R-H-P-Y-F-L
IARRHPYFL
Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe-Leu
L-Ile-L-Ala-L-Arg-L-Arg-L-His-L-Pro-L-Tyr-L-Phe-L-Leu
L-isoleucyl-L-alanyl-L-arginyl-L-arginyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanyl-L-leucine
kinetensin (human)

hmdb:HMDB12988
biggM:M_CE5786
keggC:M_C15872
seedM:M_cpd14603
vmhM:M_CE5786 		secondary/obsolete/fantasy identifier