Mohangamide B (CHEBI:219193)

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CHEBI:219193 - Mohangamide B

ChEBI ID	CHEBI:219193
ChEBI Name	Mohangamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C106H139N17O26
Net Charge	0
Average Mass	2067.371
Monoisotopic Mass	2066.00772
SMILES	CCC/C=C\c1ccccc1/C=C/C(=O)N[C@@H]1C(=O)N(C)/C(=C/c2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O[C@H](C)[C@H](NC(=O)C/C=C2/C=CNC[C@H]2/C=C\CCC)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O[C@@H]1C
InChI	InChI=1S/C106H139N17O26/c1-12-14-18-30-69-31-24-25-32-70(69)38-44-88(133)120-92-64(10)149-106(147)83(58-125)118-97(138)81(55-86(108)131)116-101(142)89(61(7)126)121-98(139)78(50-65-26-20-16-21-27-65)111-93(134)75(48-59(3)4)110-95(136)77(52-67-34-40-73(128)41-35-67)114-103(144)91(119-87(132)45-39-71-46-47-109-56-72(71)33-19-15-13-2)63(9)148-105(146)82(57-124)117-96(137)80(54-85(107)130)115-102(143)90(62(8)127)122-99(140)79(51-66-28-22-17-23-29-66)112-94(135)76(49-60(5)6)113-100(141)84(123(11)104(92)145)53-68-36-42-74(129)43-37-68/h16-44,46-47,53,59-64,72,75-83,89-92,109,124-129H,12-15,45,48-52,54-58H2,1-11H3,(H2,107,130)(H2,108,131)(H,110,136)(H,111,134)(H,112,135)(H,113,141)(H,114,144)(H,115,143)(H,116,142)(H,117,137)(H,118,138)(H,119,132)(H,120,133)(H,121,139)(H,122,140)/b30-18-,33-19-,44-38+,71-39-,84-53+/t61-,62-,63+,64+,72+,75-,76-,77+,78+,79+,80-,81-,82-,83-,89-,90-,91-,92-/m0/s1
InChIKey	WMHLUUIMDLSARH-KLBNHQCUSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (25622093)

Roles Classification

Chemical Role:

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Mohangamide B (CHEBI:219193) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3E)-N-[(3S,6S,9S,12R,15S,18R,21S,22R,25S,28S,31S,34R,37S,40E,43S,44R)-12,34-dibenzyl-5,8,11,14,17,20,27,30,33,36,39-undecahydroxy-9,31-bis[(1S)-1-hydroxyethyl]-6,28-bis(2-hydroxy-2-iminoethyl)-3,25-bis(hydroxymethyl)-43-[[(E)-1-hydroxy-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enylidene]amino]-18-[(4-hydroxyphenyl)methyl]-40-[(4-hydroxyphenyl)methylidene]-22,41,44-trimethyl-15,37-bis(2-methylpropyl)-2,24,42-trioxo-1,23-dioxa-4,7,10,13,16,19,26,29,32,35,38,41-dodecazacyclotetratetraconta-4,7,10,13,16,19,26,29,32,35,38-undecaen-21-yl]-3-[(3S)-3-[(Z)-pent-1-enyl]-2,3-dihydro-1H-pyridin-4-ylidene]propanimidic acid

IUPAC Name

(3E)-N-[(3S,6S,9S,12R,15S,18R,21S,22R,25S,28S,31S,34R,37S,40E,43S,44R)-12,34-dibenzyl-5,8,11,14,17,20,27,30,33,36,39-undecahydroxy-9,31-bis[(1S)-1-hydroxyethyl]-6,28-bis(2-hydroxy-2-iminoethyl)-3,25-bis(hydroxymethyl)-43-[[(E)-1-hydroxy-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enylidene]amino]-18-[(4-hydroxyphenyl)methyl]-40-[(4-hydroxyphenyl)methylidene]-22,41,44-trimethyl-15,37-bis(2-methylpropyl)-2,24,42-trioxo-1,23-dioxa-4,7,10,13,16,19,26,29,32,35,38,41-dodecazacyclotetratetraconta-4,7,10,13,16,19,26,29,32,35,38-undecaen-21-yl]-3-[(3S)-3-[(Z)-pent-1-enyl]-2,3-dihydro-1H-pyridin-4-ylidene]propanimidic acid

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