Met002399: Cys-Asp-Pro-Gly-Tyr-Ile-Gly-Ser-Arg
Metabolite Information
Name
Cys-Asp-Pro-Gly-Tyr-Ile-Gly-Ser-Arg
IUPAC Name
(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular Formula
C40H62N12O14S
Molecular Weight
967.1
Exact Mass
966.4229159
SMILES
CCC(C)C(C(=O)NCC(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(CS)N
InChIKey
NGBBIWFVAWMQKZ-JDIVNGTKSA-N
InChI
InChI=1S/C40H62N12O14S/c1-3-20(2)32(37(63)46-17-30(56)48-27(18-53)35(61)49-24(39(65)66)6-4-12-44-40(42)43)51-34(60)25(14-21-8-10-22(54)11-9-21)47-29(55)16-45-36(62)28-7-5-13-52(28)38(64)26(15-31(57)58)50-33(59)23(41)19-67/h8-11,20,23-28,32,53-54,67H,3-7,12-19,41H2,1-2H3,(H,45,62)(H,46,63)(H,47,55)(H,48,56)(H,49,61)(H,50,59)(H,51,60)(H,57,58)(H,65,66)(H4,42,43,44)/t20-,23-,24-,25-,26-,27-,28-,32-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Subclass:
Amino acids, peptides, and analogues
Crops containing this metabolite
bittermelon
citrus
cowpea
fig
kidney_bean
lettuce
mung_bean
peach
pineapple
taro
watermelon
citrus
cowpea
fig
kidney_bean
lettuce
mung_bean
peach
pineapple
taro
watermelon
Metabolite Spectrum Accession Label
BIT00031p
BIT00099n
BIT00104p
BIT00149p
BIT00194p
BIT00255p
BIT00441p
CIT00864p
COW00181p
FIG00450p
KID00132p
LET00134p
LET00149p
LET00172p
LET00188p
LET00234p
LET00336p
LET00368p
LET00463p
LET00502p
MUN00227p
PEACH00003p
PEACH00067p
PEACH00090p
PEACH00101p
PEACH00131p
PEACH00139p
PEACH00200p
PEACH00305p
PEACH00322p
PEACH00421p
PEACH00496p
PEACH00526p
PEACH00538p
PEACH00547p
PEACH00563p
PEACH00575p
PIN00407p
PIN00417p
TAR00218p
WAT00001p
WAT00003p
WAT00012p
WAT00037p
WAT00055p
WAT00061p
WAT00076p
WAT00091p
WAT00094p
WAT00132p
WAT00199p
WAT00215p
WAT00236p
WAT00242p
WAT00300p
WAT00317p
WAT00323p
WAT00334p
WAT00392p
WAT00396p
WAT00397p
WAT00432p
WAT00434p
BIT00099n
BIT00104p
BIT00149p
BIT00194p
BIT00255p
BIT00441p
CIT00864p
COW00181p
FIG00450p
KID00132p
LET00134p
LET00149p
LET00172p
LET00188p
LET00234p
LET00336p
LET00368p
LET00463p
LET00502p
MUN00227p
PEACH00003p
PEACH00067p
PEACH00090p
PEACH00101p
PEACH00131p
PEACH00139p
PEACH00200p
PEACH00305p
PEACH00322p
PEACH00421p
PEACH00496p
PEACH00526p
PEACH00538p
PEACH00547p
PEACH00563p
PEACH00575p
PIN00407p
PIN00417p
TAR00218p
WAT00001p
WAT00003p
WAT00012p
WAT00037p
WAT00055p
WAT00061p
WAT00076p
WAT00091p
WAT00094p
WAT00132p
WAT00199p
WAT00215p
WAT00236p
WAT00242p
WAT00300p
WAT00317p
WAT00323p
WAT00334p
WAT00392p
WAT00396p
WAT00397p
WAT00432p
WAT00434p